General Information of the Compound
| Compound ID |
CP0392966
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| Compound Name |
1-[(Z)-4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-3-(3,4-dichloro-phenyl)-5-methoxy-pent-4-enyl]-4-phenyl-piperidin-4-ol
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| Structure |
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| Formula |
C33H33Cl2F6NO3
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| Molecular Weight |
676.525
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| Canonical SMILES |
CO\C=C(/COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H33Cl2F6NO3/c1-44-20-24(21-45-19-22-15-26(32(36,37)38)18-27(16-22)33(39,40)41)28(23-7-8-29(34)30(35)17-23)9-12-42-13-10-31(43,11-14-42)25-5-3-2-4-6-25/h2-8,15-18,20,28,43H,9-14,19,21H2,1H3/b24-20+
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| InChIKey |
IQNVLMRVUGAEBD-HIXSDJFHSA-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