General Information of the Compound
| Compound ID |
CP0471649
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| Compound Name |
methyl 3-(1H-indol-3-yl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
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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 |
COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C21H24N2O5S/c1-14(2)28-16-8-10-17(11-9-16)29(25,26)23-20(21(24)27-3)12-15-13-22-19-7-5-4-6-18(15)19/h4-11,13-14,20,22-23H,12H2,1-3H3
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| InChIKey |
OUKBNFKVLATDCH-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