General Information of the Compound
| Compound ID |
CP0405485
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| Compound Name |
3-(2-carboxyethyl)-7-fluoro-6-thiophen-2-yl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C16H12FNO4S
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| Molecular Weight |
333.34
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2c(F)c(ccc12)-c1cccs1)C(O)=O
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| InChI |
InChI=1S/C16H12FNO4S/c17-13-10(11-2-1-7-23-11)4-3-8-9(5-6-12(19)20)15(16(21)22)18-14(8)13/h1-4,7,18H,5-6H2,(H,19,20)(H,21,22)
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| InChIKey |
WSAWIARMTIVGHR-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