General Information of the Compound
| Compound ID |
CP0384482
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| Compound Name |
5-(5-methyl-2-oxo-5-(thiophen-2-yl)-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 |
C19H15N3O2S
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| Molecular Weight |
349.415
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| Canonical SMILES |
CC1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1
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| InChI |
InChI=1S/C19H15N3O2S/c1-19(17-3-2-8-25-17)14-9-12(15-7-5-13(10-20)21-15)4-6-16(14)22-18(23)11-24-19/h2-9,21H,11H2,1H3,(H,22,23)
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| InChIKey |
JCAYGZSCOFMVQK-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