General Information of the Compound
| Compound ID |
CP0430753
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| Compound Name |
CHEMBL2012622
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| Formula |
C24H24FN3O4S
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| Molecular Weight |
469.538
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(COc2ccc(F)cc2)s1
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| InChI |
InChI=1S/C24H24FN3O4S/c25-19-9-11-20(12-10-19)32-14-21-27-28-24(33-21)26-23(31)18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-22(29)30/h5-12,15-16H,1-4,13-14H2,(H,29,30)(H,26,28,31)/t15-,16-
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| InChIKey |
XXUMOZOILRWXFV-WKILWMFISA-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