General Information of the Compound
| Compound ID |
CP0136242
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| Compound Name |
3-(2-{2-[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]ethyl}-1,3-benzoxazol-5-yl)benzoic acid
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| Structure |
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| Formula |
C28H22Cl2N2O4
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| Molecular Weight |
521.4
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| Canonical SMILES |
CC(C)c1onc(c1CCc1nc2cc(ccc2o1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H22Cl2N2O4/c1-15(2)27-19(26(32-36-27)25-20(29)7-4-8-21(25)30)10-12-24-31-22-14-17(9-11-23(22)35-24)16-5-3-6-18(13-16)28(33)34/h3-9,11,13-15H,10,12H2,1-2H3,(H,33,34)
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| InChIKey |
BGPRZEDIQYHRBT-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