General Information of the Compound
| Compound ID |
CP0483375
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| Compound Name |
CHEMBL4440715
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| Formula |
C23H30F2N2O5S
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| Molecular Weight |
484.565
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)cc1F
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| InChI |
InChI=1S/C23H30F2N2O5S/c1-14(31-16-5-7-23(8-6-16)12-22(2,3)30-13-23)21-26-20(27-32-21)17-10-18(24)15(9-19(17)25)11-33(4,28)29/h9-10,14,16H,5-8,11-13H2,1-4H3/t14-,16-,23+/m1/s1
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| InChIKey |
NZLIFYOTOWZDRW-SWHMAYCHSA-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