General Information of the Compound
| Compound ID |
CP0552901
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| Compound Name |
2,2,2-trifluoro-N-(1S,13bR)-1,3,4,13b-tetrahydro-2H-9-oxa-4a-aza-tribenzo[a,c,e]cyclohepten-1-yl-acetamide
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| Structure |
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| Formula |
C19H17F3N2O2
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| Molecular Weight |
362.351
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| Canonical SMILES |
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccccc21
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| InChI |
InChI=1S/C19H17F3N2O2/c20-19(21,22)18(25)23-13-7-5-11-24-14-8-2-4-10-16(14)26-15-9-3-1-6-12(15)17(13)24/h1-4,6,8-10,13,17H,5,7,11H2,(H,23,25)/t13-,17+/m0/s1
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| InChIKey |
LSXNTASPFDFMDK-SUMWQHHRSA-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