General Information of the Compound
| Compound ID |
CP0258963
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| Compound Name |
4-(5-benzyl-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C20H17N3S
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| Molecular Weight |
331.444
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| Canonical SMILES |
Cc1c(sc2ccc(Cc3ccccc3)cc12)-c1ccnc(N)n1
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| InChI |
InChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23)
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| InChIKey |
VEENBSCKZKHPIB-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