General Information of the Compound
| Compound ID |
CP0074611
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| Compound Name |
CHEMBL4128687
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| Formula |
C26H32ClF2N3O5S2
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| Molecular Weight |
604.141
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| Canonical SMILES |
CC(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(C(F)F)c1Cl
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| InChI |
InChI=1S/C26H32ClF2N3O5S2/c1-13(2)32-39(36,37)19-9-8-17(20(21(19)27)23(28)29)22-18(10-14-6-4-3-5-7-14)31-25(38-22)24(33)30-16-11-15(12-16)26(34)35/h8-9,13-16,23,32H,3-7,10-12H2,1-2H3,(H,30,33)(H,34,35)/t15-,16-
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| InChIKey |
WSERDBMTQCXVFU-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