General Information of the Compound
| Compound ID |
CP0441645
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-(thiophen-3-yl)piperidin-1-yl)butanamide
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| Structure |
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| Formula |
C28H27F7N2OS
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| Molecular Weight |
572.59
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| Canonical SMILES |
Fc1ccc(cc1)[C@H](CCN1CCC(CC1)c1ccsc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H27F7N2OS/c29-24-3-1-20(2-4-24)25(7-11-37-9-5-19(6-10-37)21-8-12-39-17-21)26(38)36-16-18-13-22(27(30,31)32)15-23(14-18)28(33,34)35/h1-4,8,12-15,17,19,25H,5-7,9-11,16H2,(H,36,38)/t25-/m0/s1
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| InChIKey |
YVYCNZXAEFCTJA-VWLOTQADSA-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