General Information of the Compound
| Compound ID |
CP0966627
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| Compound Name |
SID131410686
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| Structure |
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| Formula |
C38H47F3N4O6
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| Molecular Weight |
712.81
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)C(=O)Cc2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
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| InChI |
InChI=1S/C38H47F3N4O6/c1-25-22-45(26(2)24-46)36(48)32-21-31(43-37(49)42-30-15-13-29(14-16-30)38(39,40)41)17-18-33(32)51-27(3)10-8-9-19-50-34(25)23-44(4)35(47)20-28-11-6-5-7-12-28/h5-7,11-18,21,25-27,34,46H,8-10,19-20,22-24H2,1-4H3,(H2,42,43,49)/t25-,26+,27-,34-/m1/s1
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| InChIKey |
UTVLUISVXZSARP-GMERYBDXSA-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