General Information of the Compound
| Compound ID |
CP0453109
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| Compound Name |
4-N,2-dicyclopropyl-5-methyl-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C16H20N4S
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| Molecular Weight |
300.431
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| Canonical SMILES |
Cc1c(NCc2cccs2)nc(nc1NC1CC1)C1CC1
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| InChI |
InChI=1S/C16H20N4S/c1-10-14(17-9-13-3-2-8-21-13)19-16(11-4-5-11)20-15(10)18-12-6-7-12/h2-3,8,11-12H,4-7,9H2,1H3,(H2,17,18,19,20)
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| InChIKey |
IQXLRDXEYGVGAX-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