General Information of the Compound
| Compound ID |
CP0447752
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| Compound Name |
3-(phenylsulfonyl)-1H-indole, 18h
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| Structure |
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| Formula |
C20H22N2O2S
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| Molecular Weight |
354.475
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| Canonical SMILES |
O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1
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| InChI |
InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)19-15-21-18-10-6-7-16(20(18)19)11-14-22-12-4-5-13-22/h1-3,6-10,15,21H,4-5,11-14H2
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| InChIKey |
GRBCPJNRLNFZRM-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01026, Sodium-dependent noradrenaline transporter