General Information of the Compound
| Compound ID |
CP0530977
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| Compound Name |
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[3-(2-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(CCCc1ccccc1F)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(14-6-8-22-7-4-5-9-24(22)29)18-21-12-10-20(11-13-21)15-27(31)32/h4-5,7,9-13,16-17H,6,8,14-15,18H2,1-3H3,(H,31,32)
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| InChIKey |
BSJYWLDRPGBCPU-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