General Information of the Compound
| Compound ID |
CP0486561
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| Compound Name |
3,5-dichloro-N-(3-(4-((2-cyanophenoxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C30H29Cl2F3N4O2
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| Molecular Weight |
605.488
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H29Cl2F3N4O2/c1-19(10-13-38-29(40)27-24(31)17-37-18-25(27)32)39-14-11-21(12-15-39)28(41-26-5-3-2-4-22(26)16-36)20-6-8-23(9-7-20)30(33,34)35/h2-9,17-19,21,28H,10-15H2,1H3,(H,38,40)
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| InChIKey |
KFLZBSIZBHCUHQ-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