General Information of the Compound
| Compound ID |
CP0463603
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[12-(5-chloro-2-methoxyanilino)-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4O2S2
|
||||||||||||||||||
| Molecular Weight |
449.001
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(NC(=O)C(C)C)sc-23)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN4O2S2/c1-10(2)18(26)25-20-22-12-5-4-6-15-16(17(12)29-20)24-19(28-15)23-13-9-11(21)7-8-14(13)27-3/h7-10H,4-6H2,1-3H3,(H,23,24)(H,22,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWKUKTMSKAGDGA-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