General Information of the Compound
| Compound ID |
CP0970084
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-oxo-1-(pyridin-2-ylmethyl)-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C30H25F2N5O3
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| Molecular Weight |
541.558
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccn(Cc3ccccn3)c2=O)c1
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| InChI |
InChI=1S/C30H25F2N5O3/c31-21-7-9-28(25(32)17-21)40-23-10-14-36(15-11-23)27-8-6-20(18-33)16-26(27)35-29(38)24-5-3-13-37(30(24)39)19-22-4-1-2-12-34-22/h1-9,12-13,16-17,23H,10-11,14-15,19H2,(H,35,38)
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| InChIKey |
NWCJRHAKZUCGTN-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