General Information of the Compound
| Compound ID |
CP0960255
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| Compound Name |
4-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(2-methoxynicotinamido)-N-propylpicolinamide
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| Structure |
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| Formula |
C27H29F2N5O4
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| Molecular Weight |
525.556
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| Canonical SMILES |
CCCNC(=O)c1cc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)cn1
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| InChI |
InChI=1S/C27H29F2N5O4/c1-3-10-30-26(36)21-15-23(22(16-32-21)33-25(35)19-5-4-11-31-27(19)37-2)34-12-8-18(9-13-34)38-24-7-6-17(28)14-20(24)29/h4-7,11,14-16,18H,3,8-10,12-13H2,1-2H3,(H,30,36)(H,33,35)
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| InChIKey |
MMIPXCIVKQSPSB-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