General Information of the Compound
| Compound ID |
CP0903870
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-5-cyclopropyloxazole-4-carboxamide
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| Structure |
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| Formula |
C25H22F2N4O3
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| Molecular Weight |
464.472
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ncoc2C2CC2)c1
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| InChI |
InChI=1S/C25H22F2N4O3/c26-17-4-6-22(19(27)12-17)34-18-7-9-31(10-8-18)21-5-1-15(13-28)11-20(21)30-25(32)23-24(16-2-3-16)33-14-29-23/h1,4-6,11-12,14,16,18H,2-3,7-10H2,(H,30,32)
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| InChIKey |
YYWIRKIDSGZWOJ-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