General Information of the Compound
| Compound ID |
CP0546609
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| Compound Name |
3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-methyl-[1]benzoxepino[3,2-b]pyridine-9-carboxylic acid
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| Structure |
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| Formula |
C28H20Cl2N2O5
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| Molecular Weight |
535.383
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| Canonical SMILES |
CC1=Cc2nc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc2Oc2cc(ccc12)C(O)=O
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| InChI |
InChI=1S/C28H20Cl2N2O5/c1-14-11-21-22(36-23-12-16(28(33)34)7-8-17(14)23)9-10-24(31-21)35-13-18-26(32-37-27(18)15-5-6-15)25-19(29)3-2-4-20(25)30/h2-4,7-12,15H,5-6,13H2,1H3,(H,33,34)
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| InChIKey |
KKDXARDYSRNCKT-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