General Information of the Compound
| Compound ID |
CP0437430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(1-(1-(biphenyl-4-ylmethyl)indoline-7-carboxamido)ethyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N2O3
|
||||||||||||||||||
| Molecular Weight |
476.576
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(cc3)-c3ccccc3)c12)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N2O3/c1-21(23-14-16-27(17-15-23)31(35)36)32-30(34)28-9-5-8-26-18-19-33(29(26)28)20-22-10-12-25(13-11-22)24-6-3-2-4-7-24/h2-17,21H,18-20H2,1H3,(H,32,34)(H,35,36)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGSCLDCNFKGSGO-NRFANRHFSA-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