General Information of the Compound
| Compound ID |
CP0877506
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| Compound Name |
N-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazono-2,3-dihydro-1H-inden-5-yl)-4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
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| Structure |
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| Formula |
C21H24N6O3S
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| Molecular Weight |
440.529
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| Canonical SMILES |
CN1CCOc2ccc(S(=O)(=O)Nc3ccc4c(c3)/C(=N\NC3=NCCN3)CC4)cc21
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| InChI |
InChI=1S/C21H24N6O3S/c1-27-10-11-30-20-7-5-16(13-19(20)27)31(28,29)26-15-4-2-14-3-6-18(17(14)12-15)24-25-21-22-8-9-23-21/h2,4-5,7,12-13,26H,3,6,8-11H2,1H3,(H2,22,23,25)/b24-18-
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| InChIKey |
LPULTYDZZMPHIN-MOHJPFBDSA-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