General Information of the Compound
| Compound ID |
CP0545489
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| Compound Name |
3-[2-(4-chlorophenyl)-1H-indol-5-yl]propanoic acid
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| Structure |
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| Formula |
C17H14ClNO2
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| Molecular Weight |
299.757
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| Canonical SMILES |
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H14ClNO2/c18-14-5-3-12(4-6-14)16-10-13-9-11(2-8-17(20)21)1-7-15(13)19-16/h1,3-7,9-10,19H,2,8H2,(H,20,21)
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| InChIKey |
SBRAQKCGWPVFBR-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