General Information of the Compound
| Compound ID |
CP0522851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((1-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl)cyclopentane-1,3-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N5O
|
||||||||||||||||||
| Molecular Weight |
415.541
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4cccnc34)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N5O/c1-16-11-24(29-22-13-20(31-3)8-9-21(16)22)28-19-7-6-18(12-19)27-14-17-15-30(2)23-5-4-10-26-25(17)23/h4-5,8-11,13,15,18-19,27H,6-7,12,14H2,1-3H3,(H,28,29)/t18-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWBOSTMPMJAEKL-OALUTQOASA-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