General Information of the Compound
| Compound ID |
CP0573691
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| Compound Name |
8-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-10,11-dihydrodibenzo[b,f]oxepine-3-carboxylic acid
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| Structure |
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| Formula |
C28H21Cl2NO5
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| Molecular Weight |
522.384
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| Canonical SMILES |
OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1
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| InChI |
InChI=1S/C28H21Cl2NO5/c29-21-2-1-3-22(30)25(21)26-20(27(36-31-26)16-6-7-16)14-34-19-10-11-23-17(12-19)8-4-15-5-9-18(28(32)33)13-24(15)35-23/h1-3,5,9-13,16H,4,6-8,14H2,(H,32,33)
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| InChIKey |
DCDHLZQZFDFFHL-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