General Information of the Compound
| Compound ID |
CP0401566
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| Compound Name |
2-(3-aminophenoxy)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
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| Structure |
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| Formula |
C19H24N8O
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| Molecular Weight |
380.456
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(N)c2)n1
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| InChI |
InChI=1S/C19H24N8O/c1-13-10-17(25-24-13)21-16-12-18(27-8-6-26(2)7-9-27)23-19(22-16)28-15-5-3-4-14(20)11-15/h3-5,10-12H,6-9,20H2,1-2H3,(H2,21,22,23,24,25)
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| InChIKey |
LWDGITWCANNPPY-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