General Information of the Compound
| Compound ID |
CP0528856
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| Compound Name |
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-(2-methyl-thiazol-4-ylmethyl)-4-phenyl-piperidine
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| Structure |
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| Formula |
C26H26F6N2OS
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| Molecular Weight |
528.562
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| Canonical SMILES |
Cc1nc(CN2CCC(COCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)(CC2)c2ccccc2)cs1
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| InChI |
InChI=1S/C26H26F6N2OS/c1-18-33-23(16-36-18)14-34-9-7-24(8-10-34,20-5-3-2-4-6-20)17-35-15-19-11-21(25(27,28)29)13-22(12-19)26(30,31)32/h2-6,11-13,16H,7-10,14-15,17H2,1H3
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| InChIKey |
QQOIKWGCKJQKAY-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