General Information of the Compound
| Compound ID |
CP0147395
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| Compound Name |
4-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-2-naphthalenyl]benzoic acid
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| Structure |
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| Formula |
C30H23Cl2NO4
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| Molecular Weight |
532.423
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-13-12-21-14-20(10-11-22(21)15-23)18-6-8-19(9-7-18)30(34)35/h3-15,17H,16H2,1-2H3,(H,34,35)
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| InChIKey |
RLFCFNBVHLVDEF-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