General Information of the Compound
| Compound ID |
CP0457606
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| Compound Name |
2,2,2-trifluoro-N-((1S,13bR)-5-vinyl-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 |
C21H19F3N2O2
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| Molecular Weight |
388.389
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| Canonical SMILES |
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cccc(C=C)c21
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| InChI |
InChI=1S/C21H19F3N2O2/c1-2-13-7-5-11-17-18(13)26-12-6-9-15(25-20(27)21(22,23)24)19(26)14-8-3-4-10-16(14)28-17/h2-5,7-8,10-11,15,19H,1,6,9,12H2,(H,25,27)/t15-,19+/m0/s1
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| InChIKey |
DHOSQFBEVXHREC-HNAYVOBHSA-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