General Information of the Compound
| Compound ID |
CP0433297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H35N3O7S
|
||||||||||||||||||
| Molecular Weight |
629.735
|
||||||||||||||||||
| Canonical SMILES |
CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CS(=O)(=O)NC(=O)C2(CC2)c2ccccc2OC)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H35N3O7S/c1-5-43-30-23-10-9-17-35-29(23)31(44-6-2)24-19-37(32(38)28(24)30)26-14-13-22(18-21(26)3)20-45(40,41)36-33(39)34(15-16-34)25-11-7-8-12-27(25)42-4/h7-14,17-18H,5-6,15-16,19-20H2,1-4H3,(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOJWYFPHAMNRIH-UHFFFAOYSA-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