General Information of the Compound
| Compound ID |
CP0894606
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| Compound Name |
4-Adamantan-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
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| Structure |
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| Formula |
C19H29N5
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| Molecular Weight |
327.476
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| Canonical SMILES |
CN1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)CC1
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| InChI |
InChI=1S/C19H29N5/c1-23-2-4-24(5-3-23)17-9-16(21-18(20)22-17)19-10-13-6-14(11-19)8-15(7-13)12-19/h9,13-15H,2-8,10-12H2,1H3,(H2,20,21,22)
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| InChIKey |
YJPZFJVOZGZAIA-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