General Information of the Compound
| Compound ID |
CP0403244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-N-[(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-hydroxypyrrolidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H52N2O4
|
||||||||||||||||||
| Molecular Weight |
504.756
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)N4CC[C@H](O)C4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H52N2O4/c1-5-21-25-16-19(33)8-12-30(25,4)24-9-13-29(3)22(6-7-23(29)26(24)27(21)35)18(2)10-14-31-28(36)32-15-11-20(34)17-32/h18-27,33-35H,5-17H2,1-4H3,(H,31,36)/t18-,19-,20+,21-,22-,23+,24+,25+,26+,27-,29-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJMSTDHIMUUCHZ-GOHRWJJTSA-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