General Information of the Compound
| Compound ID |
CP0439232
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| Compound Name |
2-(4-chlorophenyl)-4-(ethylthio)-6-(1-pyrrolidinyl)pyrimidine
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| Structure |
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| Formula |
C16H18ClN3S
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| Molecular Weight |
319.861
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| Canonical SMILES |
CCSc1cc(nc(n1)-c1ccc(Cl)cc1)N1CCCC1
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| InChI |
InChI=1S/C16H18ClN3S/c1-2-21-15-11-14(20-9-3-4-10-20)18-16(19-15)12-5-7-13(17)8-6-12/h5-8,11H,2-4,9-10H2,1H3
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| InChIKey |
ZXEOCKPUJOLSPH-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