General Information of the Compound
| Compound ID |
CP0304035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3'N-(2-tetrahydro-1H-1-pyrrolylethyl)-1-[4-(5-fluoro-2-methylphenylcarboxamido)benzoyl]spiro[2,3,4,5-tetrahydro-1H-benzo[b]azepine-4,1'-(2'-cyclopentene)]-3'-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H39FN4O3
|
||||||||||||||||||
| Molecular Weight |
594.731
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H39FN4O3/c1-25-8-11-29(37)22-31(25)34(43)39-30-12-9-26(10-13-30)35(44)41-20-16-36(23-27-6-2-3-7-32(27)41)15-14-28(24-36)33(42)38-17-21-40-18-4-5-19-40/h2-3,6-13,22,24H,4-5,14-21,23H2,1H3,(H,38,42)(H,39,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVPFSLAMRFZZRY-UHFFFAOYSA-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