General Information of the Compound
| Compound ID |
CP0399193
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| Compound Name |
6-(3-methoxyphenylsulfonyl)-3-phenethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C27H28N2O3S
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| Molecular Weight |
460.599
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)n1c2CCN(CCc3ccccc3)CCc2c2ccccc12
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| InChI |
InChI=1S/C27H28N2O3S/c1-32-22-10-7-11-23(20-22)33(30,31)29-26-13-6-5-12-24(26)25-15-18-28(19-16-27(25)29)17-14-21-8-3-2-4-9-21/h2-13,20H,14-19H2,1H3
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| InChIKey |
ZDTBJKAQUOZWHX-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