General Information of the Compound
| Compound ID |
CP0887116
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| Compound Name |
2-Methylsulfanyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-benzo[4,5]thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C15H20N4S2
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| Molecular Weight |
320.487
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| Canonical SMILES |
CSc1nc(N2CCNCC2)c2sc3c(c2n1)CCCC3
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| InChI |
InChI=1S/C15H20N4S2/c1-20-15-17-12-10-4-2-3-5-11(10)21-13(12)14(18-15)19-8-6-16-7-9-19/h16H,2-9H2,1H3
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| InChIKey |
CYTGUIYGDYGBIQ-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