General Information of the Compound
| Compound ID |
CP0528065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6S,7R)-18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
409.839
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccccc2[C@@H]2[C@H](CCCN2c2cc(Cl)ccc12)NC(=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClF3N3O/c1-26-15-7-3-2-5-13(15)18-14(25-19(28)20(22,23)24)6-4-10-27(18)17-11-12(21)8-9-16(17)26/h2-3,5,7-9,11,14,18H,4,6,10H2,1H3,(H,25,28)/t14-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIDBIEZDKMFXOW-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