General Information of the Compound
| Compound ID |
CP0510095
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| Compound Name |
4-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-butyramide
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| Structure |
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| Formula |
C24H26F6N2O2
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| Molecular Weight |
488.472
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| Canonical SMILES |
NC(=O)CCCN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C24H26F6N2O2/c25-23(26,27)18-12-16(13-19(14-18)24(28,29)30)15-34-20-8-4-10-32(11-5-9-21(31)33)22(20)17-6-2-1-3-7-17/h1-3,6-7,12-14,20,22H,4-5,8-11,15H2,(H2,31,33)/t20-,22-/m0/s1
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| InChIKey |
GRZUTNXIIUWUSF-UNMCSNQZSA-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