General Information of the Compound
| Compound ID |
CP0146220
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| Compound Name |
4-(5-(4-methoxybenzyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C21H19N3OS
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| Molecular Weight |
361.47
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| Canonical SMILES |
COc1ccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)cc1
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| InChI |
InChI=1S/C21H19N3OS/c1-13-17-12-15(11-14-3-6-16(25-2)7-4-14)5-8-19(17)26-20(13)18-9-10-23-21(22)24-18/h3-10,12H,11H2,1-2H3,(H2,22,23,24)
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| InChIKey |
WATJUDKMSCNCAN-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