General Information of the Compound
| Compound ID |
CP0964937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((2R,4S)-4-(2-(Aminomethyl)-1H-imidazol-1-yl)-2-(1-(4-chlorobenzyl)-5-methyl-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29ClN8O
|
||||||||||||||||||
| Molecular Weight |
565.081
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(c1)nc([C@H]1C[C@H](n3ccnc3CN)CN1C(=O)c1cnc3[nH]ccc3c1)n2Cc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29ClN8O/c1-19-2-7-26-25(12-19)37-30(39(26)17-20-3-5-23(32)6-4-20)27-14-24(38-11-10-34-28(38)15-33)18-40(27)31(41)22-13-21-8-9-35-29(21)36-16-22/h2-13,16,24,27H,14-15,17-18,33H2,1H3,(H,35,36)/t24-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAQWYPCUWSCNSW-RPLLCQBOSA-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 | |||||||||||||||||||
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