| Drug Name |
STK696827
|
| Synonyms |
CHEMBL1084866; 4-[2-(Anthracen-9-Ylmethylidene)hydrazino]-N-(3-Chlorophenyl)-4-Oxobutanamide; 4-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-4-oxobutanamide; NadD inhibitor 1_02; SCHEMBL11887958; A0640/0029695; STK696827; BDBM50318652; AKOS001707409; US8785499, 1_02; 4-{2-[(E)-1-(9-anthryl)methylidene]hydrazino}-N-(3-chlorophenyl)-4-oxobutanamide; (E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3-chlorophenyl)-4-oxobutanamide
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
429.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
3 |
| Chemical Identifiers |
- Formula
- C25H20ClN3O2
- IUPAC Name
N'-[(E)-anthracen-9-ylmethylideneamino]-N-(3-chlorophenyl)butanediamide - Canonical SMILES
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C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CCC(=O)NC4=CC(=CC=C4)Cl
- InChI
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InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
- InChIKey
-
OJLFRDWWYAPUAJ-JVWAILMASA-N
|
| Cross-matching ID |
- PubChem CID
- 9597188
- TTD ID
- D0UF5V
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