General Information of the Compound
| Compound ID |
CP0520777
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| Compound Name |
3-(2-carboxyethyl)-4-chloro-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C18H13ClFNO4
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| Molecular Weight |
361.756
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2cc(cc(Cl)c12)-c1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C18H13ClFNO4/c19-13-7-10(9-1-3-11(20)4-2-9)8-14-16(13)12(5-6-15(22)23)17(21-14)18(24)25/h1-4,7-8,21H,5-6H2,(H,22,23)(H,24,25)
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| InChIKey |
UBPWHWKQICXBGV-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