General Information of the Compound
| Compound ID |
CP0519393
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| Compound Name |
1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-hydroxy-[6-(trifluoromethyl)pyridin-3-yl]methyl]azetidin-1-yl]ethanone
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| Structure |
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| Formula |
C29H29ClF6N4O3
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| Molecular Weight |
631.017
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-4-6-24(37-12-19)29(34,35)36)18-3-5-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-7-17(8-10-39)28(31,32)33/h3-6,11-12,17,20,42H,7-10,13-15H2,1-2H3
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| InChIKey |
QOPZQHBTJONAHJ-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