General Information of the Compound
| Compound ID |
CP0488635
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| Compound Name |
N-cyclopropyl-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 |
C24H31N9O
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| Molecular Weight |
461.574
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
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| InChI |
InChI=1S/C24H31N9O/c1-16-13-21(31-30-16)27-20-15-22(33-11-9-32(2)10-12-33)29-24(28-20)26-19-5-3-17(4-6-19)14-23(34)25-18-7-8-18/h3-6,13,15,18H,7-12,14H2,1-2H3,(H,25,34)(H3,26,27,28,29,30,31)
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| InChIKey |
ZJNSFQCRAJSSCV-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