General Information of the Compound
| Compound ID |
CP0463025
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| Compound Name |
4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-1-methyl-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 |
Cn1cc(cc1C#N)-c1ccc2NC(=O)OC(C)(C)c2c1
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| InChI |
InChI=1S/C16H15N3O2/c1-16(2)13-7-10(4-5-14(13)18-15(20)21-16)11-6-12(8-17)19(3)9-11/h4-7,9H,1-3H3,(H,18,20)
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| InChIKey |
CMBBFWANSALAAB-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