General Information of the Compound
| Compound ID |
CP0575335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-butanoyloxy-1-(2-hydroxyacetyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H55NO7
|
||||||||||||||||||
| Molecular Weight |
601.825
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)NCC(O)=O)C(=O)CO)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H55NO7/c1-7-8-28(41)43-26-13-14-32(4)24(31(26,2)3)12-15-34(6)25(32)10-9-22-29-21(23(38)20-37)11-16-35(29,18-17-33(22,34)5)30(42)36-19-27(39)40/h21-22,24-26,29,37H,7-20H2,1-6H3,(H,36,42)(H,39,40)/t21-,22+,24-,25+,26+,29+,32-,33+,34+,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIHRNMHGTWXOCV-CZOVCNAUSA-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 | |||||||||||||||||||
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