General Information of the Compound
| Compound ID |
CP0516851
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| Compound Name |
CHEMBL4634701
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| Formula |
C34H35F5N2O6S2
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| Molecular Weight |
726.786
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| Canonical SMILES |
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(OCc3c(F)cccc3C(F)(F)F)ccc21)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H35F5N2O6S2/c1-48(43,44)40-24-10-5-21(6-11-24)32(42)41-18-17-33(49(45,46)26-13-8-23(35)9-14-26)28-15-12-25(19-22(28)7-16-31(33)41)47-20-27-29(34(37,38)39)3-2-4-30(27)36/h2-4,8-9,12-15,19,21,24,31,40H,5-7,10-11,16-18,20H2,1H3/t21-,24-,31-,33-/m1/s1
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| InChIKey |
HDSOUIJMGZPNOJ-IVAVSDEZSA-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