General Information of the Compound
| Compound ID |
CP0507690
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| Compound Name |
(8R,9R)-7,7-Dibutyl-2-dimethylamino-9-(3-methoxy-phenyl)-6-methyl-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 |
C27H40N2O4S
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| Molecular Weight |
488.694
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(OC)c2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
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| InChI |
InChI=1S/C27H40N2O4S/c1-7-9-16-27(17-10-8-2)26(30)25(20-12-11-13-22(18-20)33-6)23-19-21(28(3)4)14-15-24(23)34(31,32)29(27)5/h11-15,18-19,25-26,30H,7-10,16-17H2,1-6H3/t25-,26-/m1/s1
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| InChIKey |
XYVUGRAVQKLPPU-CLJLJLNGSA-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