General Information of the Compound
| Compound ID |
CP0553065
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| Compound Name |
N-[4-(3-fluorophenyl)sulfonyl-2,2-dimethyl-3H-1,4-benzoxazin-8-yl]-N',N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C20H26FN3O3S
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| Molecular Weight |
407.511
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| Canonical SMILES |
CN(C)CCNc1cccc2N(CC(C)(C)Oc12)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C20H26FN3O3S/c1-20(2)14-24(28(25,26)16-8-5-7-15(21)13-16)18-10-6-9-17(19(18)27-20)22-11-12-23(3)4/h5-10,13,22H,11-12,14H2,1-4H3
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| InChIKey |
UTGUFJUEDCOAOS-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