General Information of the Compound
| Compound ID |
CP0647677
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| Compound Name |
2,5-Dimethyl-8-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
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| Structure |
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| Formula |
C19H21ClN2O2S
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| Molecular Weight |
376.909
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| Canonical SMILES |
CN1CCc2c(c3cc(S(=O)(=O)c4ccccc4)ccc3n2C)C1.Cl
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| InChI |
InChI=1S/C19H20N2O2S.ClH/c1-20-11-10-19-17(13-20)16-12-15(8-9-18(16)21(19)2)24(22,23)14-6-4-3-5-7-14;/h3-9,12H,10-11,13H2,1-2H3;1H
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| InChIKey |
LFLUHLCPXQWQKW-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