General Information of the Compound
| Compound ID |
CP0463547
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| Compound Name |
(8R,9R)-7,7-Dibutyl-2-dimethylamino-5,5-dioxo-9-phenyl-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-8-ol
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| Structure |
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| Formula |
C25H36N2O3S
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| Molecular Weight |
444.641
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| Canonical SMILES |
CCCCC1(CCCC)NS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(C)C
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| InChI |
InChI=1S/C25H36N2O3S/c1-5-7-16-25(17-8-6-2)24(28)23(19-12-10-9-11-13-19)21-18-20(27(3)4)14-15-22(21)31(29,30)26-25/h9-15,18,23-24,26,28H,5-8,16-17H2,1-4H3/t23-,24-/m1/s1
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| InChIKey |
METJFDMYWVYDOK-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