General Information of the Compound
| Compound ID |
CP0566187
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| Compound Name |
3-[(1E)-1-[8-[(2-propyl-4-pyridin-4-ylimidazol-1-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C30H27N5O3
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| Molecular Weight |
505.578
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| Canonical SMILES |
CCCc1nc(cn1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)c1)-c1ccncc1
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| InChI |
InChI=1S/C30H27N5O3/c1-3-6-27-32-25(21-11-13-31-14-12-21)17-35(27)16-20-9-10-23-22(15-20)18-37-26-8-5-4-7-24(26)28(23)19(2)29-33-30(36)38-34-29/h4-5,7-15,17H,3,6,16,18H2,1-2H3,(H,33,34,36)/b28-19+
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| InChIKey |
XSMYHXXXFIQLIX-TURZUDJPSA-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