| Drug Name |
CRWCYVOHVXAEMF-LBPRGKRZSA-N
|
| Synonyms |
CHEMBL2385270; SCHEMBL15138926; CRWCYVOHVXAEMF-LBPRGKRZSA-N; BDBM50434166; (S)-N-(2-(2-Cyanopyrrolidine-1-yl)-2-oxoethyl)-6-fluoroquinoline-4-carboxamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
326.32 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.4 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C17H15FN4O2
- IUPAC Name
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinoline-4-carboxamide - Canonical SMILES
-
C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C=C(C=CC3=NC=C2)F)C#N
- InChI
-
InChI=1S/C17H15FN4O2/c18-11-3-4-15-14(8-11)13(5-6-20-15)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
- InChIKey
-
CRWCYVOHVXAEMF-LBPRGKRZSA-N
|
| Cross-matching ID |
- PubChem CID
- 71667229
- TTD ID
- D0QX2U
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