General Information of the Compound
| Compound ID |
CP0547123
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| Compound Name |
N-(4-fluorophenyl)-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C27H30FN9O
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| Molecular Weight |
515.597
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccc(F)cc3)cc2)n1
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| InChI |
InChI=1S/C27H30FN9O/c1-18-15-24(35-34-18)31-23-17-25(37-13-11-36(2)12-14-37)33-27(32-23)30-22-7-3-19(4-8-22)16-26(38)29-21-9-5-20(28)6-10-21/h3-10,15,17H,11-14,16H2,1-2H3,(H,29,38)(H3,30,31,32,33,34,35)
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| InChIKey |
LDBYMVVKYRHKMX-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