General Information of the Compound
| Compound ID |
CP0388303
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| Compound Name |
propan-2-yl 2-cyano-6-(3,4-difluorobenzoyl)-4,4-dimethyl-1,5-dihydropyrrolo[2,3-d]azepine-8-carboxylate
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C22H21F2N3O3/c1-12(2)30-21(29)15-10-27(20(28)13-5-6-17(23)18(24)7-13)11-22(3,4)16-8-14(9-25)26-19(15)16/h5-8,10,12,26H,11H2,1-4H3
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| InChIKey |
BNNBRAKOFFJMAM-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