General Information of the Compound
| Compound ID |
CP0452753
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| Compound Name |
3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino}-carbonyl)-4-[(4-fluorophenoxy)methyl]phenyl}propanoic acid
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| Structure |
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| Formula |
C30H34FNO4
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| Molecular Weight |
491.603
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| Canonical SMILES |
CC(C)CC(NC(=O)c1cc(COc2ccc(F)cc2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C30H34FNO4/c1-19(2)13-28(24-15-20(3)14-21(4)16-24)32-30(35)27-17-22(5-6-23(27)7-12-29(33)34)18-36-26-10-8-25(31)9-11-26/h5-6,8-11,14-17,19,28H,7,12-13,18H2,1-4H3,(H,32,35)(H,33,34)
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| InChIKey |
UGNHEAQVFRJTQQ-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