General Information of the Compound
| Compound ID |
CP0101358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3613356
Show/Hide
|
||||||||||||||||||
| Formula |
C33H32Cl2N2O5
|
||||||||||||||||||
| Molecular Weight |
607.534
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1c(Cl)cccc1Cl)C(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H32Cl2N2O5/c34-26-2-1-3-27(35)28(26)20-4-6-21(7-5-20)30(38)36-12-13-37-31(39)22-8-10-25(11-9-22)42-29-23-14-19-15-24(29)18-33(16-19,17-23)32(40)41/h1-11,19,23-24,29H,12-18H2,(H,36,38)(H,37,39)(H,40,41)/t19?,23?,24?,29-,33-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCWSZBQKJPIVDK-KLBVBXANSA-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 | |||||||||||||||||||
| 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