General Information of the Compound
| Compound ID |
CP0273047
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| Compound Name |
1-(3,3-Diphenyl-propyl)-1-oxy-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
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| Structure |
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| Formula |
C27H28F3NO2
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| Molecular Weight |
455.52
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| Canonical SMILES |
OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F3NO2/c28-27(29,30)24-13-7-12-23(20-24)26(32)15-18-31(33,19-16-26)17-14-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,20,25,32H,14-19H2
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| InChIKey |
ZGZZPQUSXMOPHW-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