General Information of the Compound
| Compound ID |
CP0563473
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| Compound Name |
CHEMBL4874499
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| Formula |
C28H28F8N2O4S
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| Molecular Weight |
640.593
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)NN1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28F8N2O4S/c29-19-5-9-21(10-6-19)43(41,42)25-13-14-38(37-20-7-1-16(2-8-20)24(39)40)23(25)12-3-17-15-18(4-11-22(17)25)26(30,27(31,32)33)28(34,35)36/h4-6,9-11,15-16,20,23,37H,1-3,7-8,12-14H2,(H,39,40)/t16-,20-,23-,25-/m1/s1
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| InChIKey |
JZULQGVRCOYVLF-STHMRSITSA-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