General Information of the Compound
| Compound ID |
CP0184168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(2-nitro-phenyl)-ureido]-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N6O4
|
||||||||||||||||||
| Molecular Weight |
554.651
|
||||||||||||||||||
| Canonical SMILES |
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1[N+]([O-])=O)C(=O)NCC1(CCCCC1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N6O4/c1-30(19-22-20-33-24-12-4-3-11-23(22)24,36-29(39)35-25-13-5-6-14-26(25)37(40)41)28(38)34-21-31(16-8-2-9-17-31)27-15-7-10-18-32-27/h3-7,10-15,18,20,33H,2,8-9,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCTVJEOJKGTAMS-PMERELPUSA-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