General Information of the Compound
| Compound ID |
CP0373755
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| Compound Name |
propan-2-yl 2-cyano-4,4-dimethyl-6-(oxane-4-carbonyl)-1,5,7,8-tetrahydropyrrolo[2,3-d]azepine-8-carboxylate
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| Structure |
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| Formula |
C21H29N3O4
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| Molecular Weight |
387.48
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| Canonical SMILES |
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCOCC1
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| InChI |
InChI=1S/C21H29N3O4/c1-13(2)28-20(26)16-11-24(19(25)14-5-7-27-8-6-14)12-21(3,4)17-9-15(10-22)23-18(16)17/h9,13-14,16,23H,5-8,11-12H2,1-4H3
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| InChIKey |
IEZIKMUGYMCPMC-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