General Information of the Compound
| Compound ID |
CP0554298
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| Compound Name |
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-(2-methylprop-2-enoyl)piperidin-3-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H25F2N5O3
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| Molecular Weight |
481.503
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| Canonical SMILES |
CC(=C)C(=O)N1CCC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1
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| InChI |
InChI=1S/C25H25F2N5O3/c1-14(2)25(34)31-11-3-4-17(13-31)32-23(28)21(24(29)33)22(30-32)15-5-8-18(9-6-15)35-20-10-7-16(26)12-19(20)27/h5-10,12,17H,1,3-4,11,13,28H2,2H3,(H2,29,33)/t17-/m1/s1
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| InChIKey |
CFJSVUCVZRJFRO-QGZVFWFLSA-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