General Information of the Compound
| Compound ID |
CP0492353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H44N6O3S
|
||||||||||||||||||
| Molecular Weight |
628.843
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccccc2C(=O)NC11CCN(CC1)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H44N6O3S/c1-38-30-11-5-3-10-28(30)32(42)37-35(38)15-21-41(22-16-35)34(44)36-29(23-25-24-45-31-12-6-4-9-27(25)31)33(43)40-19-13-26(14-20-40)39-17-7-2-8-18-39/h3-6,9-12,24,26,29H,2,7-8,13-23H2,1H3,(H,36,44)(H,37,42)/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQMWQBKWTDUUBP-GDLZYMKVSA-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