General Information of the Compound
| Compound ID |
CP0244393
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| Compound Name |
[(3R)-4-(3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C18H18FN3O5S
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| Molecular Weight |
407.423
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| Canonical SMILES |
NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCCNc2c1
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| InChI |
InChI=1S/C18H18FN3O5S/c19-12-2-3-15-17(8-12)27-9-13(10-28(20,24)25)22(15)18(23)11-1-4-16-14(7-11)21-5-6-26-16/h1-4,7-8,13,21H,5-6,9-10H2,(H2,20,24,25)/t13-/m1/s1
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| InChIKey |
AYCHBVJNOSVGEC-CYBMUJFWSA-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