General Information of the Compound
| Compound ID |
CP0138731
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| Compound Name |
1-(3-chlorophenylsulfonyl)-7-methyl-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole
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| Structure |
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| Formula |
C19H19ClN2O2S
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| Molecular Weight |
374.893
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| Canonical SMILES |
CN1CCc2cc3ccn(c3cc2CC1)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H19ClN2O2S/c1-21-8-5-14-11-16-7-10-22(19(16)12-15(14)6-9-21)25(23,24)18-4-2-3-17(20)13-18/h2-4,7,10-13H,5-6,8-9H2,1H3
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| InChIKey |
AKBRLFXEFQHICT-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