General Information of the Compound
| Compound ID |
CP0556328
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| Compound Name |
N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperidin-4-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H32F3N3O4
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| Molecular Weight |
531.575
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CCN(CC1)C1CCC(CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H32F3N3O4/c29-28(30,31)21-3-1-2-20(14-21)27(36)32-16-26(35)33-22-10-12-34(13-11-22)23-7-4-18(5-8-23)19-6-9-24-25(15-19)38-17-37-24/h1-3,6,9,14-15,18,22-23H,4-5,7-8,10-13,16-17H2,(H,32,36)(H,33,35)
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| InChIKey |
GPZLWZZUGXARMT-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