General Information of the Compound
| Compound ID |
CP0244389
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| Compound Name |
6-[(3S)-3-(2-aminoethyl)-7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C19H18FN3O4
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| Molecular Weight |
371.368
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| Canonical SMILES |
NCC[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C19H18FN3O4/c20-12-2-3-15-17(8-12)26-9-13(5-6-21)23(15)19(25)11-1-4-16-14(7-11)22-18(24)10-27-16/h1-4,7-8,13H,5-6,9-10,21H2,(H,22,24)/t13-/m0/s1
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| InChIKey |
KQHPDWUZVRUQRE-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