General Information of the Compound
| Compound ID |
CP0535929
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((1S,13bR)-6-chloro-1,3,4,13b-tetrahydro-2H-9-oxa-4a-aza-tribenzo[a,c,e]cyclohepten-1-yl)-carbamic acid chloromethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
393.27
|
||||||||||||||||||
| Canonical SMILES |
ClCOC(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18Cl2N2O3/c20-11-25-19(24)22-14-5-3-9-23-15-10-12(21)7-8-17(15)26-16-6-2-1-4-13(16)18(14)23/h1-2,4,6-8,10,14,18H,3,5,9,11H2,(H,22,24)/t14-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABZQSJTWHDHDQW-KBXCAEBGSA-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