General Information of the Compound
| Compound ID |
CP0492619
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| Compound Name |
N-[1-[[(11E)-11-[1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethylidene]-6H-benzo[c][1]benzoxepin-8-yl]methyl]-2-propylbenzimidazol-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C30H29N5O5S
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| Molecular Weight |
571.659
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| Canonical SMILES |
CCCc1nc2c(NS(C)(=O)=O)cccc2n1Cc1ccc2c(COc3ccccc3\C2=C(/C)c2noc(=O)[nH]2)c1
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| InChI |
InChI=1S/C30H29N5O5S/c1-4-8-26-31-28-23(34-41(3,37)38)10-7-11-24(28)35(26)16-19-13-14-21-20(15-19)17-39-25-12-6-5-9-22(25)27(21)18(2)29-32-30(36)40-33-29/h5-7,9-15,34H,4,8,16-17H2,1-3H3,(H,32,33,36)/b27-18+
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| InChIKey |
INFSWHCVCBIGBA-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