General Information of the Compound
| Compound ID |
CP0533817
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| Compound Name |
2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C30H37N9O
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| Molecular Weight |
539.688
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)N3CCN(C)CC3)cc2)cc1
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| InChI |
InChI=1S/C30H37N9O/c1-20(2)23-7-11-24(12-8-23)31-29(40)18-22-5-9-25(10-6-22)32-30-34-26(33-27-17-21(3)36-37-27)19-28(35-30)39-15-13-38(4)14-16-39/h5-12,17,19-20H,13-16,18H2,1-4H3,(H,31,40)(H3,32,33,34,35,36,37)
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| InChIKey |
XTOAKVOIEPECCO-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