General Information of the Compound
| Compound ID |
CP0559518
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| Compound Name |
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C32H39N9O
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| Molecular Weight |
565.726
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(n[nH]4)C4CC4)cc(n3)N3CCN(C)CC3)cc2)cc1
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| InChI |
InChI=1S/C32H39N9O/c1-21(2)23-8-12-25(13-9-23)33-31(42)18-22-4-10-26(11-5-22)34-32-36-28(35-29-19-27(38-39-29)24-6-7-24)20-30(37-32)41-16-14-40(3)15-17-41/h4-5,8-13,19-21,24H,6-7,14-18H2,1-3H3,(H,33,42)(H3,34,35,36,37,38,39)
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| InChIKey |
LYLRYJNAMATEMF-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