General Information of the Compound
| Compound ID |
CP0485301
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| Compound Name |
2-(methylthio)-3-(phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C16H15N3O2S2
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| Molecular Weight |
345.449
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| Canonical SMILES |
CSc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H15N3O2S2/c1-22-16-14(23(20,21)12-7-3-2-4-8-12)15-17-10-11-6-5-9-13(11)19(15)18-16/h2-4,7-8,10H,5-6,9H2,1H3
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| InChIKey |
HNKMZOVFZLBOBK-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
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6