General Information of the Compound
| Compound ID |
CP0496277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(R)-1-(benzyl-methyl-carbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide} 1-[(2-nitro-phenyl)-amide]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32N6O5
|
||||||||||||||||||
| Molecular Weight |
568.634
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32N6O5/c1-35(20-21-10-3-2-4-11-21)30(39)26(18-22-19-32-24-13-6-5-12-23(22)24)33-29(38)28-16-9-17-36(28)31(40)34-25-14-7-8-15-27(25)37(41)42/h2-8,10-15,19,26,28,32H,9,16-18,20H2,1H3,(H,33,38)(H,34,40)/t26-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYTYJTNCCRHYOF-IXCJQBJRSA-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