General Information of the Compound
| Compound ID |
CP0562390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chloro-phenylsulfanyl)-7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloheptene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
401.875
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CNc3c(Oc2cc1OC)ncnc3Sc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-13/h3-8,10,21H,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBLXPOWFZJHBPD-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