General Information of the Compound
| Compound ID |
CP0123414
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| Compound Name |
CHEMBL4126040
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| Formula |
C26H34ClN3O5S2
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| Molecular Weight |
568.161
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C26H34ClN3O5S2/c1-26(2,3)30-37(34,35)18-9-10-19(20(27)14-18)22-21(11-15-7-5-4-6-8-15)29-24(36-22)23(31)28-17-12-16(13-17)25(32)33/h9-10,14-17,30H,4-8,11-13H2,1-3H3,(H,28,31)(H,32,33)/t16-,17-
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| InChIKey |
IOXHYYGEUJQOTL-QAQDUYKDSA-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