General Information of the Compound
| Compound ID |
CP0405133
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| Compound Name |
(rac)-N-(6-chloro-1,3,4,13b-tetrahydro-2H-9-oxa-4a-aza-tribenzo[a,c,e]cyclohepten-1-yl)-2,2,2-trifluoro-acetamide
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| Structure |
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| Formula |
C19H16ClF3N2O2
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| Molecular Weight |
396.796
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| Canonical SMILES |
FC(F)(F)C(=O)NC1CCCN2C1c1ccccc1Oc1ccc(Cl)cc21
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| InChI |
InChI=1S/C19H16ClF3N2O2/c20-11-7-8-16-14(10-11)25-9-3-5-13(24-18(26)19(21,22)23)17(25)12-4-1-2-6-15(12)27-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,26)
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| InChIKey |
JNJFNFCZHXIGJI-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound