General Information of the Compound
| Compound ID |
CP0439385
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| Compound Name |
3-(6-Benzenesulfonylamino-1,2,3,4-tetrahydro-carbazol-9-yl)-propionic acid
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| Structure |
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| Formula |
C21H22N2O4S
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| Molecular Weight |
398.484
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| Canonical SMILES |
OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccccc3)ccc12
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| InChI |
InChI=1S/C21H22N2O4S/c24-21(25)12-13-23-19-9-5-4-8-17(19)18-14-15(10-11-20(18)23)22-28(26,27)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,22H,4-5,8-9,12-13H2,(H,24,25)
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| InChIKey |
OEZREENQAASLMJ-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