General Information of the Compound
| Compound ID |
CP0539589
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| Compound Name |
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[(E)-4-hydroxybut-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H25F2N5O4
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| Molecular Weight |
497.502
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| Canonical SMILES |
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO
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| InChI |
InChI=1S/C25H25F2N5O4/c26-16-7-10-20(19(27)13-16)36-18-8-5-15(6-9-18)23-22(25(29)35)24(28)32(30-23)17-3-1-11-31(14-17)21(34)4-2-12-33/h2,4-10,13,17,33H,1,3,11-12,14,28H2,(H2,29,35)/b4-2+/t17-/m1/s1
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| InChIKey |
LBHJIGUWWMPNNW-NKEDHYFDSA-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