General Information of the Compound
| Compound ID |
CP0539590
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| Compound Name |
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-(2-fluoroprop-2-enoyl)piperidin-3-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H22F3N5O3
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| Molecular Weight |
485.466
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| Canonical SMILES |
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)[C@@H]1CCCN(C1)C(=O)C(F)=C
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| InChI |
InChI=1S/C24H22F3N5O3/c1-13(25)24(34)31-10-2-3-16(12-31)32-22(28)20(23(29)33)21(30-32)14-4-7-17(8-5-14)35-19-9-6-15(26)11-18(19)27/h4-9,11,16H,1-3,10,12,28H2,(H2,29,33)/t16-/m1/s1
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| InChIKey |
HDJDUEDKKGDEPE-MRXNPFEDSA-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