General Information of the Compound
| Compound ID |
CP0401491
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| Compound Name |
3-[2-{[(2-Cyclopropyl-1-phenylethyl)amino]carbonyl}-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C28H29NO4
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| Molecular Weight |
443.543
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| Canonical SMILES |
OC(=O)CCc1ccc(COc2ccccc2)cc1C(=O)NC(CC1CC1)c1ccccc1
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| InChI |
InChI=1S/C28H29NO4/c30-27(31)16-15-22-14-13-21(19-33-24-9-5-2-6-10-24)17-25(22)28(32)29-26(18-20-11-12-20)23-7-3-1-4-8-23/h1-10,13-14,17,20,26H,11-12,15-16,18-19H2,(H,29,32)(H,30,31)
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| InChIKey |
NQTJTVQCLHETBE-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