General Information of the Compound
| Compound ID |
CP0385833
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| Compound Name |
(E)-4,4,4-trifluoro-N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]but-2-enamide
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| Structure |
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| Formula |
C23H25F3N8O2
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| Molecular Weight |
502.501
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(NC(=O)\C=C\C(F)(F)F)cc2)n1
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| InChI |
InChI=1S/C23H25F3N8O2/c1-15-13-19(32-31-15)28-18-14-20(34-11-9-33(2)10-12-34)30-22(29-18)36-17-5-3-16(4-6-17)27-21(35)7-8-23(24,25)26/h3-8,13-14H,9-12H2,1-2H3,(H,27,35)(H2,28,29,30,31,32)/b8-7+
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| InChIKey |
YNBIJOCUCVAGRN-BQYQJAHWSA-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