General Information of the Compound
| Compound ID |
CP0461593
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| Compound Name |
US8912224, 53
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| Structure |
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| Formula |
C27H27N3O3S2
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| Molecular Weight |
505.665
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| Canonical SMILES |
CC(C)c1csc(n1)[C@H](C)NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H27N3O3S2/c1-16(2)21-15-34-26(30-21)17(3)29-25(31)24-14-28-27(35-24)32-20-10-12-23-19(13-20)9-11-22(33-23)18-7-5-4-6-8-18/h4-8,10,12-17,22H,9,11H2,1-3H3,(H,29,31)/t17-,22?/m0/s1
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| InChIKey |
DZXZLYMDJYKIEP-LBOXEOMUSA-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