General Information of the Compound
| Compound ID |
CP0507011
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[3-(3-fluorophenyl)propyl]amino]methyl]phenyl]acetic acid
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| Structure |
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| Formula |
C28H30FNO5
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| Molecular Weight |
479.548
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| Canonical SMILES |
COc1cc(cc(OC)c1C)C(=O)N(CCCc1cccc(F)c1)Cc1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C28H30FNO5/c1-19-25(34-2)16-23(17-26(19)35-3)28(33)30(13-5-7-20-6-4-8-24(29)14-20)18-22-11-9-21(10-12-22)15-27(31)32/h4,6,8-12,14,16-17H,5,7,13,15,18H2,1-3H3,(H,31,32)
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| InChIKey |
HAUKBMHPQBUOMW-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