General Information of the Compound
| Compound ID |
CP0562849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10E,12aR,14bS)-10-(diaminomethylidenehydrazinylidene)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H52N4O2
|
||||||||||||||||||
| Molecular Weight |
524.794
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC\C(=N/NC(N)=N)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H52N4O2/c1-19-11-16-32(26(37)38-8)18-17-30(6)21(25(32)20(19)2)9-10-23-29(5)14-13-24(35-36-27(33)34)28(3,4)22(29)12-15-31(23,30)7/h9,19-20,22-23,25H,10-18H2,1-8H3,(H4,33,34,36)/b35-24+/t19-,20+,22+,23-,25+,29+,30-,31-,32+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNOOOEYVHYMLKZ-PMNKRFBHSA-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