General Information of the Compound
| Compound ID |
CP0374246
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| Compound Name |
10-(benzenesulfonyl)-N,7-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-amine
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| Structure |
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| Formula |
C17H18N4O2S
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| Molecular Weight |
342.424
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| Canonical SMILES |
CNc1nn2c3CCCc3c(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H18N4O2S/c1-11-13-9-6-10-14(13)21-17(19-11)15(16(18-2)20-21)24(22,23)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,20)
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| InChIKey |
ZIJHQJYYMUFTLV-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