General Information of the Compound
| Compound ID |
CP0834373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (R)-(2-(2-(2-(3-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1H-pyrazol-1-yl)ethoxy)ethoxy)ethyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H45N5O4
|
||||||||||||||||||
| Molecular Weight |
551.732
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(CCOCCOCCNC(=O)OC(C)(C)C)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H45N5O4/c1-23-7-6-14-35(23)15-12-25-8-10-28-26(21-25)9-11-29(33-28)27-22-36(34-24(27)2)16-18-39-20-19-38-17-13-32-30(37)40-31(3,4)5/h8-11,21-23H,6-7,12-20H2,1-5H3,(H,32,37)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFOHSYLABSAJBV-HSZRJFAPSA-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 | |||||||||||||||||||