General Information of the Compound
| Compound ID |
CP0421430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[Bis-(4-hydroxy-4-phenyl-piperidin-1-yl)-amino]-1-[4-(3,5-bis-trifluoromethyl-benzyl)-2-(3,4-dichloro-phenyl)-piperazin-1-yl]-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H45Cl2F6N5O3
|
||||||||||||||||||
| Molecular Weight |
864.759
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(O)(CC1)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H45Cl2F6N5O3/c44-36-12-11-31(25-37(36)45)38-28-52(27-30-23-34(42(46,47)48)26-35(24-30)43(49,50)51)21-22-55(38)39(57)29-56(53-17-13-40(58,14-18-53)32-7-3-1-4-8-32)54-19-15-41(59,16-20-54)33-9-5-2-6-10-33/h1-12,23-26,38,58-59H,13-22,27-29H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRWILHKRMKBVID-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
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor