General Information of the Compound
| Compound ID |
CP0444614
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-(cyclopropylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-[(2S)-2-methyloxiran-2-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C34H53NO5
|
||||||||||||||||||
| Molecular Weight |
555.8
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(CO1)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)NC6CC6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H53NO5/c1-29(2)23-12-15-32(5)24(30(23,3)14-13-25(29)40-28(38)35-20-7-8-20)10-9-21-26-22(33(6)19-39-33)11-16-34(26,27(36)37)18-17-31(21,32)4/h20-26H,7-19H2,1-6H3,(H,35,38)(H,36,37)/t21-,22-,23+,24-,25-,26+,30+,31-,32-,33-,34+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUYBVEIQLOSTIF-VUCIFUNASA-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 | |||||||||||||||||||
| 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