General Information of the Compound
| Compound ID |
CP0522514
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| Compound Name |
CHEMBL2012626
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| Formula |
C25H27N3O4S
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| Molecular Weight |
465.575
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| Canonical SMILES |
COc1ccc(Cc2nnc(NC(=O)c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)s2)cc1
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| InChI |
InChI=1S/C25H27N3O4S/c1-32-21-12-4-16(5-13-21)14-22-27-28-25(33-22)26-24(31)20-10-8-19(9-11-20)18-6-2-17(3-7-18)15-23(29)30/h4-5,8-13,17-18H,2-3,6-7,14-15H2,1H3,(H,29,30)(H,26,28,31)/t17-,18-
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| InChIKey |
HJGQMWSRFIZTNM-IYARVYRRSA-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