General Information of the Compound
| Compound ID |
CP0387471
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| Compound Name |
2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenylethanone
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| Structure |
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| Formula |
C18H17N3OS2
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| Molecular Weight |
355.488
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| Canonical SMILES |
Nc1nc(SCC(=O)c2ccccc2)nc2sc3CCCCc3c12
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| InChI |
InChI=1S/C18H17N3OS2/c19-16-15-12-8-4-5-9-14(12)24-17(15)21-18(20-16)23-10-13(22)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,19,20,21)
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| InChIKey |
RLTCTFRIBVMVCA-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