General Information of the Compound
| Compound ID |
CP0407764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-bromophenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H43BrN6O2
|
||||||||||||||||||
| Molecular Weight |
635.651
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cccc(Br)c2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H43BrN6O2/c1-23-18-24(19-27-22-35-37-31(23)27)20-30(32(41)39-16-10-29(11-17-39)38-12-3-2-4-13-38)36-33(42)40-14-8-25(9-15-40)26-6-5-7-28(34)21-26/h5-7,18-19,21-22,25,29-30H,2-4,8-17,20H2,1H3,(H,35,37)(H,36,42)/t30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKWJUPTVNHCKHM-SSEXGKCCSA-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