General Information of the Compound
| Compound ID |
CP0460766
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| Compound Name |
methyl 6-[[1-[4-[(3,5-dichloropyridine-4-carbonyl)amino]butan-2-yl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylate
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| Structure |
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| Formula |
C30H31Cl2F3N4O4
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| Molecular Weight |
639.502
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| Canonical SMILES |
COC(=O)c1cccc(OC(C2CCN(CC2)C(C)CCNC(=O)c2c(Cl)cncc2Cl)c2ccc(cc2)C(F)(F)F)n1
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| InChI |
InChI=1S/C30H31Cl2F3N4O4/c1-18(10-13-37-28(40)26-22(31)16-36-17-23(26)32)39-14-11-20(12-15-39)27(19-6-8-21(9-7-19)30(33,34)35)43-25-5-3-4-24(38-25)29(41)42-2/h3-9,16-18,20,27H,10-15H2,1-2H3,(H,37,40)
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| InChIKey |
BBPIAZGYCZVTCO-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