General Information of the Compound
| Compound ID |
CP0560150
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| Compound Name |
3-[(1E)-1-[3-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C29H27N5O3
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| Molecular Weight |
493.567
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| Canonical SMILES |
CCCc1nc2c(C)cccc2n1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)n1
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| InChI |
InChI=1S/C29H27N5O3/c1-4-8-25-31-27-17(2)9-7-11-23(27)34(25)15-19-13-14-20-22(30-19)16-36-24-12-6-5-10-21(24)26(20)18(3)28-32-29(35)37-33-28/h5-7,9-14H,4,8,15-16H2,1-3H3,(H,32,33,35)/b26-18+
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| InChIKey |
LLEDACKAJBGRSV-NLRVBDNBSA-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