General Information of the Compound
| Compound ID |
CP0496861
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| Compound Name |
3-[6-(3,4-Difluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid
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| Structure |
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| Formula |
C21H20F2N2O4S
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| Molecular Weight |
434.464
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| Canonical SMILES |
OC(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc12
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| InChI |
InChI=1S/C21H20F2N2O4S/c22-17-7-6-14(12-18(17)23)30(28,29)24-13-5-8-20-16(11-13)15-3-1-2-4-19(15)25(20)10-9-21(26)27/h5-8,11-12,24H,1-4,9-10H2,(H,26,27)
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| InChIKey |
MTCGMIAUIWBKOZ-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