General Information of the Compound
| Compound ID |
CP0520806
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| Compound Name |
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[(E)-4-fluorobut-2-enoyl]piperidin-3-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C25H24F3N5O3
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| Molecular Weight |
499.493
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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\CF
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| InChI |
InChI=1S/C25H24F3N5O3/c26-11-1-4-21(34)32-12-2-3-17(14-32)33-24(29)22(25(30)35)23(31-33)15-5-8-18(9-6-15)36-20-10-7-16(27)13-19(20)28/h1,4-10,13,17H,2-3,11-12,14,29H2,(H2,30,35)/b4-1+/t17-/m1/s1
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| InChIKey |
FUHUKPVSBLOKHW-NZURWCHMSA-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