General Information of the Compound
| Compound ID |
CP0551820
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| Compound Name |
2-[4-[[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C29H34FN9O
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| Molecular Weight |
543.651
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
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| InChI |
InChI=1S/C29H34FN9O/c1-3-38-11-13-39(14-12-38)27-18-25(33-26-15-20(2)36-37-26)34-29(35-27)32-24-9-7-21(8-10-24)17-28(40)31-19-22-5-4-6-23(30)16-22/h4-10,15-16,18H,3,11-14,17,19H2,1-2H3,(H,31,40)(H3,32,33,34,35,36,37)
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| InChIKey |
GOUCBHDPFPFCLN-UHFFFAOYSA-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