General Information of the Compound
| Compound ID |
CP0897873
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| Compound Name |
Trifluoro-acetate{4-[3-((8R,9R)-7,7-dibutyl-2-dimethylamino-8-hydroxy-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-9-yl)-phenylcarbamoyl]-butyl}-triethyl-ammonium
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| Structure |
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| Formula |
C38H59F3N4O6S
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| Molecular Weight |
756.973
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| Canonical SMILES |
CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)CCCC[N+](CC)(CC)CC)c2)[C@H]1O.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C36H58N4O4S.C2HF3O2/c1-8-13-23-36(24-14-9-2)35(42)34(31-27-30(39(6)7)21-22-32(31)45(43,44)38-36)28-18-17-19-29(26-28)37-33(41)20-15-16-25-40(10-3,11-4)12-5;3-2(4,5)1(6)7/h17-19,21-22,26-27,34-35,38,42H,8-16,20,23-25H2,1-7H3;(H,6,7)/t34-,35-;/m1./s1
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| InChIKey |
FQABKRUUFYAYFH-SWIBWIMJSA-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