General Information of the Compound
| Compound ID |
CP0850028
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| Compound Name |
4-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
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| Structure |
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| Formula |
C16H21N5O
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| Molecular Weight |
299.378
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| Canonical SMILES |
COc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1
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| InChI |
InChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)15-11-14(18-16(17)19-15)12-4-3-5-13(10-12)22-2/h3-5,10-11H,6-9H2,1-2H3,(H2,17,18,19)
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| InChIKey |
JNBIWTQSSTVWAN-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