General Information of the Compound
| Compound ID |
CP0449648
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| Compound Name |
1-[9-(4-chlorophenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C22H25ClN2O3S
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| Molecular Weight |
432.973
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| Canonical SMILES |
COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H25ClN2O3S/c1-24(2)14-15-5-4-6-21-22(15)19-13-17(28-3)9-12-20(19)25(21)29(26,27)18-10-7-16(23)8-11-18/h7-13,15H,4-6,14H2,1-3H3
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| InChIKey |
XVIUTJCCMYWUHN-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