General Information of the Compound
| Compound ID |
CP0962721
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-(3-hydroxy-pyrrolidin-1-yl)-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClN3O4S
|
||||||||||||||||||
| Molecular Weight |
429.885
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O)N1CCC(O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClN3O4S/c21-16-9-15-14-8-11(20(26)24-7-5-12(25)10-24)3-4-17(14)29(27,28)23-19(15)18-13(16)2-1-6-22-18/h1-4,6,8-9,12,23,25H,5,7,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMVKRQHATDBUGT-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