General Information of the Compound
| Compound ID |
CP0918848
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| Compound Name |
2-Methyl-5-[(4-methylphenyl)sulfonyl]-8-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
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| Structure |
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| Formula |
C25H25ClN2O4S2
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| Molecular Weight |
517.072
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)n2c3c(c4cc(S(=O)(=O)c5ccccc5)ccc42)CN(C)CC3)cc1.Cl
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| InChI |
InChI=1S/C25H24N2O4S2.ClH/c1-18-8-10-20(11-9-18)33(30,31)27-24-13-12-21(32(28,29)19-6-4-3-5-7-19)16-22(24)23-17-26(2)15-14-25(23)27;/h3-13,16H,14-15,17H2,1-2H3;1H
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| InChIKey |
SFVUTMOVNVLNFO-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