General Information of the Compound
| Compound ID |
CP0481899
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| Compound Name |
1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenyl-3,6-dihydro-2H-pyridine-4-carboxamide
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| Structure |
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| Formula |
C30H31F6N3O3
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| Molecular Weight |
595.584
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1=C(CN(CC1)C(=O)C1CCN(CC1)C(C)=O)c1ccccc1
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| InChI |
InChI=1S/C30H31F6N3O3/c1-19(40)38-11-8-22(9-12-38)27(41)39-13-10-25(26(18-39)21-6-4-3-5-7-21)28(42)37(2)17-20-14-23(29(31,32)33)16-24(15-20)30(34,35)36/h3-7,14-16,22H,8-13,17-18H2,1-2H3
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| InChIKey |
QCXRHXGAIJKWLX-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