General Information of the Compound
| Compound ID |
CP0960252
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| Compound Name |
N-(4-(4-(2,4-diflurophenoxy)piperidin-1-yl)-6-(methoxymethyl)pyridin-3-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H26F2N4O4
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| Molecular Weight |
484.503
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| Canonical SMILES |
COCc1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)cn1
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| InChI |
InChI=1S/C25H26F2N4O4/c1-33-15-17-13-22(21(14-29-17)30-24(32)19-4-3-9-28-25(19)34-2)31-10-7-18(8-11-31)35-23-6-5-16(26)12-20(23)27/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,32)
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| InChIKey |
KKWQBCPOAMLDOS-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