General Information of the Compound
| Compound ID |
CP0399195
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| Compound Name |
6-(3-methoxyphenylsulfonyl)-3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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| Structure |
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| Formula |
C20H22N2O3S
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| Molecular Weight |
370.474
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)n1c2CCN(C)CCc2c2ccccc12
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| InChI |
InChI=1S/C20H22N2O3S/c1-21-12-10-18-17-8-3-4-9-19(17)22(20(18)11-13-21)26(23,24)16-7-5-6-15(14-16)25-2/h3-9,14H,10-13H2,1-2H3
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| InChIKey |
LSWLSIMHPAPJAE-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