General Information of the Compound
| Compound ID |
CP0535069
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| Compound Name |
(8R,9R)-7,7-Dibutyl-2-dimethylamino-6-methyl-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 |
C26H37N3O5S
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| Molecular Weight |
503.665
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(c2)[N+]([O-])=O)c2cc(ccc2S(=O)(=O)N1C)N(C)C
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| InChI |
InChI=1S/C26H37N3O5S/c1-6-8-15-26(16-9-7-2)25(30)24(19-11-10-12-21(17-19)29(31)32)22-18-20(27(3)4)13-14-23(22)35(33,34)28(26)5/h10-14,17-18,24-25,30H,6-9,15-16H2,1-5H3/t24-,25-/m1/s1
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| InChIKey |
TUJPZSYJLFMWCA-JWQCQUIFSA-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