General Information of the Compound
| Compound ID |
CP0510043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ylcarbonyl)-2-methylbenzylcarbamoyl)-L-proline-N,N-dimethylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N5O3
|
||||||||||||||||||
| Molecular Weight |
499.615
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N5O3/c1-20-16-21(12-13-22(20)17-30-29(37)33-15-7-11-26(33)28(36)31(2)3)27(35)34-19-24-9-6-14-32(24)18-23-8-4-5-10-25(23)34/h4-6,8-10,12-14,16,26H,7,11,15,17-19H2,1-3H3,(H,30,37)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVLMUIWKBRMVPU-SANMLTNESA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound