General Information of the Compound
| Compound ID |
CP0416270
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| Compound Name |
3-[(1E)-1-[8-[[4-(hydroxymethyl)-2-propylbenzimidazol-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 |
C30H28N4O4
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| Molecular Weight |
508.578
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| Canonical SMILES |
CCCc1nc2c(CO)cccc2n1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)c1
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| InChI |
InChI=1S/C30H28N4O4/c1-3-7-26-31-28-20(16-35)8-6-10-24(28)34(26)15-19-12-13-22-21(14-19)17-37-25-11-5-4-9-23(25)27(22)18(2)29-32-30(36)38-33-29/h4-6,8-14,35H,3,7,15-17H2,1-2H3,(H,32,33,36)/b27-18+
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| InChIKey |
LTNNJWACHBZIFJ-OVVQPSECSA-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