General Information of the Compound
| Compound ID |
CP0513676
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| Compound Name |
3,5-dichloro-N-(3-(4-((4-chloropyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C28H28Cl3F3N4O2
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| Molecular Weight |
615.911
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(Cl)ccn1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H28Cl3F3N4O2/c1-17(6-10-37-27(39)25-22(30)15-35-16-23(25)31)38-12-8-19(9-13-38)26(40-24-14-21(29)7-11-36-24)18-2-4-20(5-3-18)28(32,33)34/h2-5,7,11,14-17,19,26H,6,8-10,12-13H2,1H3,(H,37,39)
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| InChIKey |
BAMUFKAYCZHEJW-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