General Information of the Compound
| Compound ID |
CP0442373
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| Compound Name |
4-N,2-dicyclopropyl-5-methyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C17H22N4S
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| Molecular Weight |
314.458
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| Canonical SMILES |
Cc1c(NCCc2cccs2)nc(nc1NC1CC1)C1CC1
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| InChI |
InChI=1S/C17H22N4S/c1-11-15(18-9-8-14-3-2-10-22-14)20-17(12-4-5-12)21-16(11)19-13-6-7-13/h2-3,10,12-13H,4-9H2,1H3,(H2,18,19,20,21)
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| InChIKey |
VDXDERZRWFVBIS-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