General Information of the Compound
| Compound ID |
CP0506507
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| Compound Name |
10-(benzenesulfonyl)-N-methyl-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 |
C16H16N4O2S
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| Molecular Weight |
328.397
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| Canonical SMILES |
CNc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H16N4O2S/c1-17-15-14(23(21,22)12-7-3-2-4-8-12)16-18-10-11-6-5-9-13(11)20(16)19-15/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,19)
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| InChIKey |
IKAWOPIOHHKTPH-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