General Information of the Compound
| Compound ID |
CP0134800
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| Compound Name |
CHEMBL4641912
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| Formula |
C35H34F5NO6S
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| Molecular Weight |
691.715
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| Canonical SMILES |
C[C@@]1(CC[C@@H](CC1)C(O)=O)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/C35H34F5NO6S/c1-33(15-13-21(14-16-33)31(42)43)32(44)41-18-17-34(48(45,46)25-9-6-23(36)7-10-25)27-11-8-24(19-22(27)5-12-30(34)41)47-20-26-28(35(38,39)40)3-2-4-29(26)37/h2-4,6-11,19,21,30H,5,12-18,20H2,1H3,(H,42,43)/t21-,30-,33-,34-/m1/s1
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| InChIKey |
IQMRENBCQAZPJJ-IOHSOSRPSA-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