General Information of the Compound
| Compound ID |
CP0427298
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| Compound Name |
6-[5-(difluoromethyl)thiophen-2-yl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H19F2N3O2S
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| Molecular Weight |
391.443
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(s2)C(F)F)cc1
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| InChI |
InChI=1S/C19H19F2N3O2S/c1-25-13-5-3-12(4-6-13)9-10-22-17-11-14(23-19(24-17)26-2)15-7-8-16(27-15)18(20)21/h3-8,11,18H,9-10H2,1-2H3,(H,22,23,24)
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| InChIKey |
VTAGZIVXIZBHDV-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