General Information of the Compound
| Compound ID |
CP0535056
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| Compound Name |
2-[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-cyclopropylacetamide
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| Structure |
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| Formula |
C27H37N9O
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| Molecular Weight |
503.655
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C(C)(C)C)nc(Nc2ccc(CC(=O)NC3CC3)cc2)n1
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| InChI |
InChI=1S/C27H37N9O/c1-27(2,3)21-16-23(34-33-21)30-22-17-24(36-13-11-35(4)12-14-36)32-26(31-22)29-20-7-5-18(6-8-20)15-25(37)28-19-9-10-19/h5-8,16-17,19H,9-15H2,1-4H3,(H,28,37)(H3,29,30,31,32,33,34)
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| InChIKey |
QEBHLVKCNNGYBS-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