General Information of the Compound
| Compound ID |
CP0399783
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| Compound Name |
9-(Toluene-4-sulfonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
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| Structure |
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| Formula |
C18H18N2O2S
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| Molecular Weight |
326.421
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1c2CNCCc2c2ccccc12
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| InChI |
InChI=1S/C18H18N2O2S/c1-13-6-8-14(9-7-13)23(21,22)20-17-5-3-2-4-15(17)16-10-11-19-12-18(16)20/h2-9,19H,10-12H2,1H3
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| InChIKey |
GBFYDRUIMVRLQL-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