General Information of the Compound
| Compound ID |
CP0926626
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| Compound Name |
SID85803973
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| Structure |
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| Formula |
C31H35F3N4O6S
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| Molecular Weight |
648.704
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1
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| InChI |
InChI=1S/C31H35F3N4O6S/c1-19-8-14-24(15-9-19)45(42,43)36-26-7-5-6-25-28(26)44-27(20(2)16-38(29(25)40)21(3)18-39)17-37(4)30(41)35-23-12-10-22(11-13-23)31(32,33)34/h5-15,20-21,27,36,39H,16-18H2,1-4H3,(H,35,41)/t20-,21+,27-/m0/s1
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| InChIKey |
DDSCLAZWRCKZSX-ISCCLHIJSA-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