General Information of the Compound
| Compound ID |
CP0503431
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| Compound Name |
2-iodo-N-[(S)-phenyl-[(2S)-piperidin-2-yl]methyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C20H20F3IN2O
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| Molecular Weight |
488.291
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| Canonical SMILES |
FC(F)(F)c1cccc(C(=O)N[C@H]([C@@H]2CCCCN2)c2ccccc2)c1I
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| InChI |
InChI=1S/C20H20F3IN2O/c21-20(22,23)15-10-6-9-14(17(15)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)/t16-,18-/m0/s1
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| InChIKey |
BCQCONAZRLELLX-WMZOPIPTSA-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