General Information of the Compound
| Compound ID |
CP0567338
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| Compound Name |
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(3-nitrophenoxy)pyrimidin-4-amine (14)
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| Structure |
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| Formula |
C19H22N8O3
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| Molecular Weight |
410.438
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(c2)[N+]([O-])=O)n1
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| InChI |
InChI=1S/C19H22N8O3/c1-13-10-17(24-23-13)20-16-12-18(26-8-6-25(2)7-9-26)22-19(21-16)30-15-5-3-4-14(11-15)27(28)29/h3-5,10-12H,6-9H2,1-2H3,(H2,20,21,22,23,24)
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| InChIKey |
HZKIIUFULFKKEU-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