General Information of the Compound
| Compound ID |
CP0762161
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| Compound Name |
3-Ethyl-7-methyl-8,8-dioxo-2,3,6a,7,8,9,10,10b-octahydro-1H-8lambda*6*-thia-3,7,10a-triaza-cyclohepta[de]naphthalene-5-carboxylic acid[(1S,2R)-1-benzyl-2-hydroxy-3-(3-trifluoromethyl-benzylamino)-propyl]-amide
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| Structure |
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| Formula |
C32H38F3N5O4S
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| Molecular Weight |
645.748
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| Canonical SMILES |
CCN1CCN2CCS(=O)(=O)N(C)c3cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNCc4cccc(C(F)(F)F)c4)cc1c32
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| InChI |
InChI=1S/C32H38F3N5O4S/c1-3-39-12-13-40-14-15-45(43,44)38(2)27-18-24(19-28(39)30(27)40)31(42)37-26(17-22-8-5-4-6-9-22)29(41)21-36-20-23-10-7-11-25(16-23)32(33,34)35/h4-11,16,18-19,26,29,36,41H,3,12-15,17,20-21H2,1-2H3,(H,37,42)/t26-,29+/m0/s1
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| InChIKey |
GQKFWIKPGSOBHH-LITSAYRRSA-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