General Information of the Compound
| Compound ID |
CP0371932
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| Compound Name |
9-(3-Chloro-benzenesulfonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
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| Structure |
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| Formula |
C17H15ClN2O2S
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| Molecular Weight |
346.839
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)n1c2CNCCc2c2ccccc12
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| InChI |
InChI=1S/C17H15ClN2O2S/c18-12-4-3-5-13(10-12)23(21,22)20-16-7-2-1-6-14(16)15-8-9-19-11-17(15)20/h1-7,10,19H,8-9,11H2
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| InChIKey |
MNZVXVZLOMUAKB-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