General Information of the Compound
| Compound ID |
CP0574902
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| Compound Name |
N-cyclopropyl-2-[4-[[4-[4-(2-hydroxyethyl)piperazin-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 |
C25H33N9O2
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| Molecular Weight |
491.6
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)NC4CC4)cc3)n2)N2CCN(CCO)CC2)[nH]n1
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| InChI |
InChI=1S/C25H33N9O2/c1-17-14-22(32-31-17)28-21-16-23(34-10-8-33(9-11-34)12-13-35)30-25(29-21)27-20-4-2-18(3-5-20)15-24(36)26-19-6-7-19/h2-5,14,16,19,35H,6-13,15H2,1H3,(H,26,36)(H3,27,28,29,30,31,32)
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| InChIKey |
PVNIUNGHHUYZIZ-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