General Information of the Compound
| Compound ID |
CP0477580
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[(E)-3-phenylprop-2-enyl]amino]methyl]phenyl]acetic acid
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| Structure |
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| Formula |
C28H29NO5
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| Molecular Weight |
459.542
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(C\C=C\c1ccccc1)Cc1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C28H29NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-14,17-18H,15-16,19H2,1-3H3,(H,30,31)/b10-7+
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| InChIKey |
CGUDRHQQPYHOID-JXMROGBWSA-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