General Information of the Compound
| Compound ID |
CP0477203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
24-N-Benzylpiperazine-3alpha,7beta-dihydroxy-5beta-cholanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H54N2O3
|
||||||||||||||||||
| Molecular Weight |
550.828
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H54N2O3/c1-24(9-12-32(40)37-19-17-36(18-20-37)23-25-7-5-4-6-8-25)28-10-11-29-33-30(14-16-35(28,29)3)34(2)15-13-27(38)21-26(34)22-31(33)39/h4-8,24,26-31,33,38-39H,9-23H2,1-3H3/t24-,26+,27-,28-,29+,30+,31+,33+,34+,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIVSVAQJIFJHIC-LTWRQENSSA-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