General Information of the Compound
| Compound ID |
CP0572798
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| Compound Name |
3-[(1Z)-1-[8-[(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(OCc3ncccc3\C2=C(/C)c2noc(=O)[nH]2)c1
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| InChI |
InChI=1S/C29H27N5O3/c1-4-7-25-31-27-17(2)8-5-10-23(27)34(25)15-19-11-12-21-24(14-19)36-16-22-20(9-6-13-30-22)26(21)18(3)28-32-29(35)37-33-28/h5-6,8-14H,4,7,15-16H2,1-3H3,(H,32,33,35)/b26-18-
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| InChIKey |
YXINNNPWFIUDMC-ITYLOYPMSA-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