General Information of the Compound
| Compound ID |
CP0941952
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| Compound Name |
SID144191494
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| Structure |
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| Formula |
C33H36F3N3O5S
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| Molecular Weight |
643.728
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C33H36F3N3O5S/c1-21-17-39(22(2)19-40)32(41)31-30(27-11-7-8-12-28(27)38(31)4)26-10-6-5-9-23(26)20-44-29(21)18-37(3)45(42,43)25-15-13-24(14-16-25)33(34,35)36/h5-16,21-22,29,40H,17-20H2,1-4H3/t21-,22-,29+/m1/s1
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| InChIKey |
SBCSAGYIHFXSSQ-QLVXXPONSA-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