General Information of the Compound
| Compound ID |
CP0873782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(7-chloro-2-(2-chloro-5-(isobutyramidomethyl)phenyl)-4-oxo-3,4-dihydroquinazolin-6-yl)pyrrolidin-3-yl acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26Cl2N4O4
|
||||||||||||||||||
| Molecular Weight |
517.413
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@@H]1CCN(c2cc3c(=O)[nH]c(-c4cc(CNC(=O)C(C)C)ccc4Cl)nc3cc2Cl)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26Cl2N4O4/c1-13(2)24(33)28-11-15-4-5-19(26)17(8-15)23-29-21-10-20(27)22(9-18(21)25(34)30-23)31-7-6-16(12-31)35-14(3)32/h4-5,8-10,13,16H,6-7,11-12H2,1-3H3,(H,28,33)(H,29,30,34)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXYPTNOKEYBZPF-MRXNPFEDSA-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