General Information of the Compound
| Compound ID |
CP0514960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11S,12R,13S,14S)-13,15-dimethyl-12-(3,4,5-trimethoxyphenyl)-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29NO4
|
||||||||||||||||||
| Molecular Weight |
419.521
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@@H](C)[C@H]2[C@@H]1c1c(CC2C)c2ccccc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO4/c1-13-10-17-16-8-6-7-9-18(16)27-26(28)23(17)24-21(13)14(2)22(24)15-11-19(29-3)25(31-5)20(12-15)30-4/h6-9,11-14,21-22,24H,10H2,1-5H3,(H,27,28)/t13?,14-,21-,22-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNAXARGFHLLBSW-BTPKQFCWSA-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