General Information of the Compound
| Compound ID |
CP0396873
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11R,12R,13R,14S)-13-cyclopropyl-12-[3-(3-hydroxypropoxy)-4-methoxyphenyl]-15,15-dimethyl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33NO5
|
||||||||||||||||||
| Molecular Weight |
475.585
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCCCO)[C@@H]1[C@@H](C2CC2)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33NO5/c1-29(2)26-23(16-9-10-16)22(17-11-12-20(33-3)21(15-17)34-14-6-13-31)24(26)25-27(35-29)18-7-4-5-8-19(18)30-28(25)32/h4-5,7-8,11-12,15-16,22-24,26,31H,6,9-10,13-14H2,1-3H3,(H,30,32)/t22-,23-,24+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRGQXYUNTMKLCT-BIATYSSJSA-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