General Information of the Compound
| Compound ID |
CP0902755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(2-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)-4-(3-phenylmorpholino)quinazolin-6-yl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H33N7O3
|
||||||||||||||||||
| Molecular Weight |
575.673
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)c2cc[nH]c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H33N7O3/c1-33(2,42)20-39-17-23(16-35-39)30-36-27-10-9-22(26-18-38(3)32(41)29-24(26)11-12-34-29)15-25(27)31(37-30)40-13-14-43-19-28(40)21-7-5-4-6-8-21/h4-12,15-18,28,34,42H,13-14,19-20H2,1-3H3/t28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHRWSSOSGNJVOC-MUUNZHRXSA-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