General Information of the Compound
| Compound ID |
CP0401315
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| Compound Name |
4-(1,2,3,4-Tetrahydro-beta-carboline-9-sulfonyl)-phenylamine
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| Structure |
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| Formula |
C17H17N3O2S
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| Molecular Weight |
327.409
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)n1c2CNCCc2c2ccccc12
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| InChI |
InChI=1S/C17H17N3O2S/c18-12-5-7-13(8-6-12)23(21,22)20-16-4-2-1-3-14(16)15-9-10-19-11-17(15)20/h1-8,19H,9-11,18H2
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| InChIKey |
ZHOQJWCJXTYOJM-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