General Information of the Compound
| Compound ID |
CP0511055
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| Compound Name |
3,5-dichloro-N-(3-(4-(phenoxy(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C29H30Cl2F3N3O2
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| Molecular Weight |
580.478
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H30Cl2F3N3O2/c1-19(11-14-36-28(38)26-24(30)17-35-18-25(26)31)37-15-12-21(13-16-37)27(39-23-5-3-2-4-6-23)20-7-9-22(10-8-20)29(32,33)34/h2-10,17-19,21,27H,11-16H2,1H3,(H,36,38)
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| InChIKey |
QGZPBSFUMWAXER-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