General Information of the Compound
| Compound ID |
CP0457563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamino)cyclohexylamino)methyl)-N,N-dimethyl-1H-indole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34ClN5O2
|
||||||||||||||||||
| Molecular Weight |
520.077
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cn(C(=O)N(C)C)c4ccc(Cl)cc34)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34ClN5O2/c1-18-12-28(33-26-15-23(37-4)9-10-24(18)26)32-22-7-5-6-21(14-22)31-16-19-17-35(29(36)34(2)3)27-11-8-20(30)13-25(19)27/h8-13,15,17,21-22,31H,5-7,14,16H2,1-4H3,(H,32,33)/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTQVGGUTDFGRBW-VXKWHMMOSA-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