General Information of the Compound
| Compound ID |
CP0479105
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| Compound Name |
3,5-dichloro-N-(3-(4-((4-methylpyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C29H31Cl2F3N4O2
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| Molecular Weight |
595.493
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(C)ccn1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H31Cl2F3N4O2/c1-18-7-11-36-25(15-18)40-27(20-3-5-22(6-4-20)29(32,33)34)21-9-13-38(14-10-21)19(2)8-12-37-28(39)26-23(30)16-35-17-24(26)31/h3-7,11,15-17,19,21,27H,8-10,12-14H2,1-2H3,(H,37,39)
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| InChIKey |
RUEHTYDIJMMJEX-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