General Information of the Compound
| Compound ID |
CP0546608
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| Compound Name |
3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-5,6-dihydro-[1]benzoxepino[3,2-d]pyrimidine-9-carboxylic acid
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| Structure |
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| Formula |
C26H19Cl2N3O5
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| Molecular Weight |
524.36
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| Canonical SMILES |
OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1
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| InChI |
InChI=1S/C26H19Cl2N3O5/c27-17-2-1-3-18(28)22(17)23-16(24(36-31-23)14-5-6-14)12-34-26-29-11-21-19(30-26)9-8-13-4-7-15(25(32)33)10-20(13)35-21/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,32,33)
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| InChIKey |
VNZGLGVAMVOINS-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