| Drug Name |
SB-223245
|
| Synonyms |
SB-223245; CHEMBL50106; SCHEMBL245523; BDBM50059133; {7-[(1H-Benzoimidazol-2-ylmethyl)-methyl-carbamoyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid; {(S)-7-[(1H-Benzoimidazol-2-ylmethyl)-methyl-carbamoyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
421.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.1 |
| Rotatable Bond Count (rotbonds) |
5 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C22H23N5O4
- IUPAC Name
2-[(2S)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid - Canonical SMILES
-
CN1CC2=C(C=CC(=C2)C(=O)N(C)CC3=NC4=CC=CC=C4N3)N[C@H](C1=O)CC(=O)O
- InChI
-
InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1
- InChIKey
-
PVNQAXDNDZYXIW-SFHVURJKSA-N
|
| Cross-matching ID |
- PubChem CID
- 9823503
- TTD ID
- D0LT1S
|
|
|
|
|
|
|
|
