General Information of the Compound
| Compound ID |
CP0541777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-cyclopropylpiperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H34ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
561.101
|
||||||||||||||||||
| Canonical SMILES |
F[C@@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCN(CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H34ClFN4O2/c33-23-5-9-25(10-6-23)40-30-18-22(32(39)37-15-13-36(14-16-37)24-7-8-24)17-27-26-3-1-2-4-29(26)38(31(27)30)20-21-11-12-35-19-28(21)34/h1-6,9-10,17-18,21,24,28,35H,7-8,11-16,19-20H2/t21-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRSNERFYQQUTOQ-RBTNQOKQSA-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