General Information of the Compound
| Compound ID |
CP0397557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(benzylamino)carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N5O2
|
||||||||||||||||||
| Molecular Weight |
455.562
|
||||||||||||||||||
| Canonical SMILES |
O=C(NNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O2/c33-26(28-16-15-20-9-3-1-4-10-20)25(17-22-19-29-24-14-8-7-13-23(22)24)31-27(34)32-30-18-21-11-5-2-6-12-21/h1-14,19,25,29-30H,15-18H2,(H,28,33)(H2,31,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKJRPOQBWQMTFK-UHFFFAOYSA-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