General Information of the Compound
| Compound ID |
CP0470095
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| Compound Name |
4-(isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C17H22N6
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| Molecular Weight |
310.405
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| Canonical SMILES |
CN1CCN(CC1)c1cc(nc(N)n1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C17H22N6/c1-21-6-8-22(9-7-21)15-10-16(20-17(18)19-15)23-11-13-4-2-3-5-14(13)12-23/h2-5,10H,6-9,11-12H2,1H3,(H2,18,19,20)
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| InChIKey |
INLNXPOQTXWVNV-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