General Information of the Compound
| Compound ID |
CP0559519
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| Compound Name |
N-cyclopropyl-2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C26H33N9O
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| Molecular Weight |
487.612
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
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| InChI |
InChI=1S/C26H33N9O/c1-34-10-12-35(13-11-34)24-16-22(29-23-15-21(32-33-23)18-4-5-18)30-26(31-24)28-20-6-2-17(3-7-20)14-25(36)27-19-8-9-19/h2-3,6-7,15-16,18-19H,4-5,8-14H2,1H3,(H,27,36)(H3,28,29,30,31,32,33)
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| InChIKey |
JNQLAFRTNANORB-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