Standard InChI: InChI=1S/C20H19N3O3/c1-23-13-21-19(15-8-10-17(26-2)11-9-15)20(23)16-6-3-14(4-7-16)5-12-18(24)22-25/h3-13,25H,1-2H3,(H,22,24)/b12-5+
Standard InChI Key: XJLOAKMOTBZJJR-LFYBBSHMSA-N
Associated Targets(Human)
518A2 464 Activities
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HCT-116 91556 Activities
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PANC-1 6144 Activities
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HT-29 80576 Activities
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KB-V1 202 Activities
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Associated Targets(non-human)
Fibroblast 58 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: 349.39
Molecular Weight (Monoisotopic): 349.1426
AlogP: 3.28
#Rotatable Bonds: 5
Polar Surface Area: 76.38
Molecular Species: NEUTRAL
HBA: 5
HBD: 2
#RO5 Violations: 0
HBA (Lipinski): 6
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 9.56
CX Basic pKa: 5.26
CX LogP: 2.87
CX LogD: 2.87
Aromatic Rings: 3
Heavy Atoms: 26
QED Weighted: 0.42
Np Likeness Score: -0.39
References
1.Liu W, Liang Y, Si X.. (2020) Hydroxamic acid hybrids as the potential anticancer agents: An Overview., 205 [PMID:32791404][10.1016/j.ejmech.2020.112679]
