General Information of the Compound
| Compound ID |
CP0536843
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| Compound Name |
2-[(3S)-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetonitrile
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| Structure |
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| Formula |
C19H15N3O4
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| Molecular Weight |
349.346
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| Canonical SMILES |
O=C(N1[C@@H](CC#N)COc2ccccc12)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C19H15N3O4/c20-8-7-13-10-25-17-4-2-1-3-15(17)22(13)19(24)12-5-6-16-14(9-12)21-18(23)11-26-16/h1-6,9,13H,7,10-11H2,(H,21,23)/t13-/m0/s1
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| InChIKey |
PQCJJRGKGCAZGP-ZDUSSCGKSA-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