General Information of the Compound
| Compound ID |
CP0908603
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| Compound Name |
1-(1H-indol-3-yl)-2-(phenylsulfonyl)-1,2-dihydroisoquinoline
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| Structure |
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| Formula |
C23H18N2O2S
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| Molecular Weight |
386.476
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| Canonical SMILES |
O=S(=O)(c1ccccc1)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C23H18N2O2S/c26-28(27,18-9-2-1-3-10-18)25-15-14-17-8-4-5-11-19(17)23(25)21-16-24-22-13-7-6-12-20(21)22/h1-16,23-24H
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| InChIKey |
GQPBLJYFQIORFZ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7