ALA4879266Name:
Sodium 5-bromo-1-(dimethylamino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C16H12BrN2NaO2M.W.:
367.18Type:
UnknownAlogP:
3.91Polar Surface Area:
53.43HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA4878788Name:
Sodium 5-(4-chlorophenyl)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C20H11ClNNaO2M.W.:
355.76Type:
UnknownAlogP:
5.41Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA4877989Name:
Sodium 5-(cyclopropylamino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C17H13N2NaO2M.W.:
300.29Type:
UnknownAlogP:
3.66Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA4877279Name:
(R)-5-(3-Aminopiperidin-1-yl)benzo[h]isoquinoline-8-carboxylic acidMol. Formula:
C19H19N3O2M.W.:
321.38Type:
UnknownAlogP:
3.01Polar Surface Area:
79.45HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4876205Name:
1-Amino-5-bromobenzo[h]isoquinoline-8-carboxamideMol. Formula:
C14H10BrN3OM.W.:
316.16Type:
UnknownAlogP:
2.83Polar Surface Area:
82.00HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS- ALA4874370
Name:
Sodium 5-bromo-3-chlorobenzo[h]isoquinoline-8-carboxylateMol. Formula:
C14H6BrClNNaO2M.W.:
358.55Type:
UnknownAlogP:
4.50Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4874005
Name:
Sodium 5-chlorobenzo[h]isoquinoline-8-carboxylateMol. Formula:
C14H7ClNNaO2M.W.:
279.66Type:
UnknownAlogP:
3.74Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4871816
Name:
Sodium 5-(isopropylamino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C17H15N2NaO2M.W.:
302.31Type:
UnknownAlogP:
3.91Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4871728
Name:
Sodium 5-bromobenzo[h]isoquinoline-8-carboxylateMol. Formula:
C14H7BrNNaO2M.W.:
324.11Type:
UnknownAlogP:
3.85Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4871526
Name:
sodium 5-(cyclohexylamino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C20H19N2NaO2M.W.:
342.37Type:
UnknownAlogP:
4.83Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4870585
Name:
Sodium 5-bromo-1-chlorobenzo[h]isoquinoline-8-carboxylateMol. Formula:
C14H6BrClNNaO2M.W.:
358.55Type:
UnknownAlogP:
4.50Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4870359
Name:
Sodium 5-bromo-1-methoxybenzo[h]isoquinoline-8-carboxylateMol. Formula:
C15H9BrNNaO3M.W.:
354.13Type:
UnknownAlogP:
3.86Polar Surface Area:
59.42HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4869607
Name:
Sodium 5-((4-chlorophenyl)amino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C20H12ClN2NaO2M.W.:
370.77Type:
UnknownAlogP:
5.48Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4867675
Name:
Sodium (R)-5-(sec-butylamino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C18H17N2NaO2M.W.:
316.34Type:
UnknownAlogP:
4.30Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4867336
Name:
Sodium 5-nitrobenzo[h]isoquinoline-8-carboxylateMol. Formula:
C14H7N2NaO4M.W.:
290.21Type:
UnknownAlogP:
2.99Polar Surface Area:
93.33HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4867159
Name:
(S)-5-(sec-Butylamino)benzo[h]isoquinoline-8-carboxylic acidMol. Formula:
C18H18N2O2M.W.:
294.35Type:
UnknownAlogP:
4.30Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4864298
Name:
Sodium 5-((3-chlorophenyl)amino)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C20H12ClN2NaO2M.W.:
370.77Type:
UnknownAlogP:
5.48Polar Surface Area:
62.22HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4862671
Name:
Sodium 5-(piperidin-1-yl)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C19H17N2NaO2M.W.:
328.35Type:
UnknownAlogP:
4.08Polar Surface Area:
53.43HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4862119
Name:
Sodium 5-cyclopropylbenzo[h]isoquinoline-8-carboxylateMol. Formula:
C17H12NNaO2M.W.:
285.28Type:
UnknownAlogP:
3.96Polar Surface Area:
50.19HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4858891
Name:
Sodium 5-(pyridin-4-yl)benzo[h]isoquinoline-8-carboxylateMol. Formula:
C19H11N2NaO2M.W.:
322.30Type:
UnknownAlogP:
4.15Polar Surface Area:
63.08HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS
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