General Information of the Compound
| Compound ID |
CP0122638
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| Compound Name |
5-(5,5-di(furan-2-yl)-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-7-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C23H17N3O4
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| Molecular Weight |
399.406
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
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| InChI |
InChI=1S/C23H17N3O4/c1-26-16(13-24)7-9-19(26)15-6-8-18-17(12-15)23(20-4-2-10-28-20,21-5-3-11-29-21)30-14-22(27)25-18/h2-12H,14H2,1H3,(H,25,27)
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| InChIKey |
IBAKVWWTMBODDP-UHFFFAOYSA-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