General Information of the Compound
| Compound ID |
CP0461308
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| Compound Name |
2-Chloro-N-[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]-acetamide
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| Structure |
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| Formula |
C28H40ClN3O4S
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| Molecular Weight |
550.165
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NC(=O)CCl)c2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
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| InChI |
InChI=1S/C28H40ClN3O4S/c1-6-8-15-28(16-9-7-2)27(34)26(20-11-10-12-21(17-20)30-25(33)19-29)23-18-22(31(3)4)13-14-24(23)37(35,36)32(28)5/h10-14,17-18,26-27,34H,6-9,15-16,19H2,1-5H3,(H,30,33)/t26-,27-/m1/s1
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| InChIKey |
KGCGCEWAJOGOQT-KAYWLYCHSA-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