General Information of the Compound
| Compound ID |
CP0379325
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| Compound Name |
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H23FN2O3
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| Molecular Weight |
394.446
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| Canonical SMILES |
CCN(Cc1cc(F)ccc1-c1cn(CC(O)=O)c2ccccc12)C(=O)C1CC1
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| InChI |
InChI=1S/C23H23FN2O3/c1-2-25(23(29)15-7-8-15)12-16-11-17(24)9-10-18(16)20-13-26(14-22(27)28)21-6-4-3-5-19(20)21/h3-6,9-11,13,15H,2,7-8,12,14H2,1H3,(H,27,28)
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| InChIKey |
XHSAFCKXDOCODN-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