General Information of the Compound
| Compound ID |
CP0499884
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| Compound Name |
9-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazol-3-amine
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| Structure |
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| Formula |
C22H26N2O3S2
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| Molecular Weight |
430.595
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1c2CCC(Cc2c2cc(SC)ccc12)N(C)C
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| InChI |
InChI=1S/C22H26N2O3S2/c1-23(2)15-5-11-21-19(13-15)20-14-17(28-4)8-12-22(20)24(21)29(25,26)18-9-6-16(27-3)7-10-18/h6-10,12,14-15H,5,11,13H2,1-4H3
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| InChIKey |
JMLVDPRPCHIVSD-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