General Information of the Compound
| Compound ID |
CP0554743
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| Compound Name |
3,5-dichloro-N-(3-(4-((6-cyanopyridin-2-yloxy)(4-(trifluoromethyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C29H28Cl2F3N5O2
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| Molecular Weight |
606.476
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(n1)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H28Cl2F3N5O2/c1-18(9-12-37-28(40)26-23(30)16-36-17-24(26)31)39-13-10-20(11-14-39)27(41-25-4-2-3-22(15-35)38-25)19-5-7-21(8-6-19)29(32,33)34/h2-8,16-18,20,27H,9-14H2,1H3,(H,37,40)
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| InChIKey |
JQPBVGHYLPNZFT-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