General Information of the Compound
| Compound ID |
CP0499460
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| Compound Name |
N,N-dimethyl-9-(4-methylphenyl)sulfonyl-6-methylsulfanyl-1,2,3,4-tetrahydrocarbazol-3-amine
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| Structure |
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| Formula |
C22H26N2O2S2
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| Molecular Weight |
414.596
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| Canonical SMILES |
CSc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H26N2O2S2/c1-15-5-9-18(10-6-15)28(25,26)24-21-11-7-16(23(2)3)13-19(21)20-14-17(27-4)8-12-22(20)24/h5-6,8-10,12,14,16H,7,11,13H2,1-4H3
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| InChIKey |
LYGXTKJBXJMAQL-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