Standard InChI: InChI=1S/C24H31N3O4/c1-14-5-8-17(9-6-14)20-13-27(26-25-20)21-16(3)19-10-7-15(2)18-11-12-23(4)29-22(28-21)24(18,19)31-30-23/h5-6,8-9,13,15-16,18-19,21-22H,7,10-12H2,1-4H3/t15-,16-,18+,19+,21?,22-,23-,24-/m1/s1
Standard InChI Key: UHOZSDXXRUVYPX-MUZABHCYSA-N
Associated Targets(Human)
DLD-1 17511 Activities
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HeLa 62764 Activities
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SiHa 2051 Activities
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A 172 535 Activities
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Associated Targets(non-human)
B16 5829 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type:
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 425.53
Molecular Weight (Monoisotopic): 425.2315
AlogP: 4.63
#Rotatable Bonds: 2
Polar Surface Area: 67.63
Molecular Species: NEUTRAL
HBA: 7
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 7
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 5.92
CX LogD: 5.92
Aromatic Rings: 2
Heavy Atoms: 31
QED Weighted: 0.65
Np Likeness Score: 1.43
References
1.Gao F, Sun Z, Kong F, Xiao J.. (2020) Artemisinin-derived hybrids and their anticancer activity., 188 [PMID:31945642][10.1016/j.ejmech.2020.112044]
