General Information of the Compound
| Compound ID |
CP0425737
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| Compound Name |
CHEMBL4799832
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| Formula |
C21H31F2N3O5S
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| Molecular Weight |
475.558
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| Canonical SMILES |
CNS(=O)(=O)N[C@H]1C[C@@H](C)N([C@H]1CO[C@H]1CC[C@H](CC1)c1cc(F)ccc1F)C(=O)OC
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| InChI |
InChI=1S/C21H31F2N3O5S/c1-13-10-19(25-32(28,29)24-2)20(26(13)21(27)30-3)12-31-16-7-4-14(5-8-16)17-11-15(22)6-9-18(17)23/h6,9,11,13-14,16,19-20,24-25H,4-5,7-8,10,12H2,1-3H3/t13-,14-,16+,19+,20+/m1/s1
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| InChIKey |
PGWXJDASJLKIBW-RXUQYVRZSA-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