General Information of the Compound
| Compound ID |
CP0959145
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-Chloro-8-oxo-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-3-yl)-piperidin-1-yl]-ethyl}-9-(2,2,2-trifluoro-ethyl)-3,6,7,8,9,10-hexahydro-3,9-diaza-cyclohepta[e]indene-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C31H30ClF3N6O3
|
||||||||||||||||||
| Molecular Weight |
627.067
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1c[nH]c2c(Cl)cc3c(c12)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ccccc4NC2=O)CC1)C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30ClF3N6O3/c32-24-12-19-11-20(29(43)40(17-31(33,34)35)16-23(19)27-21(14-36)15-37-28(24)27)13-26(42)39-8-6-22(7-9-39)41-10-5-18-3-1-2-4-25(18)38-30(41)44/h1-4,12,15,20,22,37H,5-11,13,16-17H2,(H,38,44)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBTCKQXNHLUUKF-FQEVSTJZSA-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 | |||||||||||||||||||
| 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