General Information of the Compound
| Compound ID |
CP0420033
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| Compound Name |
3-[6-(Thiophene-2-sulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid
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| Structure |
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| Formula |
C19H20N2O4S2
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| Molecular Weight |
404.513
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| Canonical SMILES |
OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3cccs3)ccc12
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| InChI |
InChI=1S/C19H20N2O4S2/c22-18(23)9-10-21-16-5-2-1-4-14(16)15-12-13(7-8-17(15)21)20-27(24,25)19-6-3-11-26-19/h3,6-8,11-12,20H,1-2,4-5,9-10H2,(H,22,23)
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| InChIKey |
XTCAHMNARSRNTR-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