General Information of the Compound
| Compound ID |
CP0388309
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| Compound Name |
2-[(4-butoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C21H24N2O5S
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| Molecular Weight |
416.499
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C21H24N2O5S/c1-2-3-12-28-16-8-10-17(11-9-16)29(26,27)23-20(21(24)25)13-15-14-22-19-7-5-4-6-18(15)19/h4-11,14,20,22-23H,2-3,12-13H2,1H3,(H,24,25)
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| InChIKey |
FYKHJBQDNBWNFG-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