General Information of the Compound
| Compound ID |
CP0414404
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| Compound Name |
N-methyl-1-(3-naphthalen-1-ylsulfonyl-6,7-dihydrocyclobuta[e]indol-7-yl)methanamine
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| Structure |
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| Formula |
C22H20N2O2S
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| Molecular Weight |
376.481
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| Canonical SMILES |
CNCC1Cc2ccc3n(ccc3c12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H20N2O2S/c1-23-14-17-13-16-9-10-20-19(22(16)17)11-12-24(20)27(25,26)21-8-4-6-15-5-2-3-7-18(15)21/h2-12,17,23H,13-14H2,1H3
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| InChIKey |
WEFBOGOBWJVPBI-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor