General Information of the Compound
| Compound ID |
CP0372509
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(18Z)-18-({3-[(1E)-1-(ethoxyimino)ethyl]thiophen-2-yl}methylidene)-12-methoxy-3,5,5-trimethyl-17-oxa-6-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,8,11,13,15-heptaen-13-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30N2O4S
|
||||||||||||||||||
| Molecular Weight |
502.636
|
||||||||||||||||||
| Canonical SMILES |
CCO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30N2O4S/c1-7-34-31-17(3)18-12-13-36-24(18)14-23-26-19(27-22(35-23)11-10-21(32)28(27)33-6)8-9-20-25(26)16(2)15-29(4,5)30-20/h8-15,30,32H,7H2,1-6H3/b23-14-,31-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBVWGNZJBRNUFG-SKOCEMNQSA-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