| Drug Name |
AC1LJNG0
|
| Synonyms |
NadD inhibitor 3_15; AC1LJNG0; SCHEMBL10016382; CHEMBL1552586; BDBM81358; ZINC660291; HMS1801G16; RSC005720; MCULE-5644016932; NCGC00100440-01; US8785499, 3_15; 3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide; 3-amino-N-(4-chloro-2-fluorophenyl)-6-thien-2-ylthieno[2,3-b]pyridine-2-carboxamide
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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): 1 |
Molecular Weight (mw) |
403.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
5.3 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C18H11ClFN3OS2
- IUPAC Name
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide - Canonical SMILES
-
C1=CSC(=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=C(C=C(C=C4)Cl)F)N
- InChI
-
InChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
- InChIKey
-
NSFJHJZRXLGMGP-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 1003444
- TTD ID
- D0ND9W
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