General Information of the Compound
| Compound ID |
CP0518214
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| Compound Name |
5-Bromo-pentanoic acid [3-((8R,9R)-7,7-dibutyl-2-dimethylamino-8-hydroxy-6-methyl-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-9-yl)-phenyl]-amide
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| Structure |
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| Formula |
C31H46BrN3O4S
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| Molecular Weight |
636.697
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NC(=O)CCCCBr)c2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
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| InChI |
InChI=1S/C31H46BrN3O4S/c1-6-8-18-31(19-9-7-2)30(37)29(23-13-12-14-24(21-23)33-28(36)15-10-11-20-32)26-22-25(34(3)4)16-17-27(26)40(38,39)35(31)5/h12-14,16-17,21-22,29-30,37H,6-11,15,18-20H2,1-5H3,(H,33,36)/t29-,30-/m1/s1
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| InChIKey |
UAQLYOZXAYBRIK-LOYHVIPDSA-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