General Information of the Compound
| Compound ID |
CP0528824
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| Compound Name |
(8R,9R)-7,7-Dibutyl-2-dimethylamino-9-(3-nitro-phenyl)-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-8-ol
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| Structure |
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| Formula |
C25H35N3O5S
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| Molecular Weight |
489.638
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| Canonical SMILES |
CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(c1)[N+]([O-])=O)N(C)C
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| InChI |
InChI=1S/C25H35N3O5S/c1-5-7-14-25(15-8-6-2)24(29)23(18-10-9-11-20(16-18)28(30)31)21-17-19(27(3)4)12-13-22(21)34(32,33)26-25/h9-13,16-17,23-24,26,29H,5-8,14-15H2,1-4H3/t23-,24-/m1/s1
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| InChIKey |
LDZIKONCRYGLFY-DNQXCXABSA-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