General Information of the Compound
| Compound ID |
CP0170830
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| Compound Name |
4-(1-benzothiophen-2-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C16H13N3S2
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| Molecular Weight |
311.435
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| Canonical SMILES |
CN(C)c1nc(-c2cc3ccccc3s2)c2sccc2n1
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| InChI |
InChI=1S/C16H13N3S2/c1-19(2)16-17-11-7-8-20-15(11)14(18-16)13-9-10-5-3-4-6-12(10)21-13/h3-9H,1-2H3
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| InChIKey |
XRBONJUPIUVING-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