General Information of the Compound
| Compound ID |
CP0529595
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| Compound Name |
5-(5,5-dimethyl-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-7-yl)-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C16H15N3O2
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| Molecular Weight |
281.315
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| Canonical SMILES |
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
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| InChI |
InChI=1S/C16H15N3O2/c1-16(2)12-7-10(13-6-4-11(8-17)18-13)3-5-14(12)19-15(20)9-21-16/h3-7,18H,9H2,1-2H3,(H,19,20)
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| InChIKey |
KERXRLFGJZSNBC-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