General Information of the Compound
| Compound ID |
CP0482729
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-cyclopropyl-1H-imidazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40N6O4
|
||||||||||||||||||
| Molecular Weight |
548.688
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c([nH]1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N6O4/c1-18(2)15-24(33-30(40)36-13-7-3-4-8-14-36)28(37)32-23(16-20-17-31-22-10-6-5-9-21(20)22)27-34-25(19-11-12-19)26(35-27)29(38)39/h5-6,9-10,17-19,23-24,31H,3-4,7-8,11-16H2,1-2H3,(H,32,37)(H,33,40)(H,34,35)(H,38,39)/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPZBZZBNAQUUAB-RPWUZVMVSA-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