General Information of the Compound
| Compound ID |
CP0420163
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| Compound Name |
3-[[2,3-dihydro-1-benzofuran-5-carbonyl-[1-(4-fluorophenyl)ethyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C25H22FNO4
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| Molecular Weight |
419.452
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| Canonical SMILES |
CC(N(Cc1cccc(c1)C(O)=O)C(=O)c1ccc2OCCc2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H22FNO4/c1-16(18-5-8-22(26)9-6-18)27(15-17-3-2-4-21(13-17)25(29)30)24(28)20-7-10-23-19(14-20)11-12-31-23/h2-10,13-14,16H,11-12,15H2,1H3,(H,29,30)
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| InChIKey |
DJZVLJCCZHIGGU-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