General Information of the Compound
| Compound ID |
CP0088310
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| Compound Name |
CHEMBL4555822
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| Formula |
C29H27F8NO5S
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| Molecular Weight |
653.588
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C29H27F8NO5S/c30-20-2-1-3-21(15-20)44(42,43)26-12-13-38(24(39)16-4-6-17(7-5-16)25(40)41)23(26)11-8-18-14-19(9-10-22(18)26)27(31,28(32,33)34)29(35,36)37/h1-3,9-10,14-17,23H,4-8,11-13H2,(H,40,41)/t16-,17-,23-,26-/m1/s1
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| InChIKey |
LIWMGZMUBKUREU-NIULTJEISA-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