General Information of the Compound
| Compound ID |
CP0487333
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| Compound Name |
methyl 3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
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| Structure |
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| Formula |
C19H20N2O5S
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| Molecular Weight |
388.445
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| Canonical SMILES |
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C19H20N2O5S/c1-25-14-7-9-15(10-8-14)27(23,24)21-18(19(22)26-2)11-13-12-20-17-6-4-3-5-16(13)17/h3-10,12,18,20-21H,11H2,1-2H3
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| InChIKey |
CSGNMXVDOWQCQD-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