General Information of the Compound
| Compound ID |
CP0373212
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| Compound Name |
5-(5,5-bis(3-chlorophenyl)-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 |
C27H19Cl2N3O2
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| Molecular Weight |
488.374
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccc(Cl)c3)(c3cccc(Cl)c3)c2c1)C#N
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| InChI |
InChI=1S/C27H19Cl2N3O2/c1-32-22(15-30)9-11-25(32)17-8-10-24-23(12-17)27(34-16-26(33)31-24,18-4-2-6-20(28)13-18)19-5-3-7-21(29)14-19/h2-14H,16H2,1H3,(H,31,33)
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| InChIKey |
UQOQTGNAPADHDP-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