General Information of the Compound
| Compound ID |
CP0506866
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| Compound Name |
US8912224, 242
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| Structure |
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| Formula |
C26H28N2O5S
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| Molecular Weight |
480.586
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| Canonical SMILES |
CC(C)CC(C)(NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)C(O)=O
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| InChI |
InChI=1S/C26H28N2O5S/c1-16(2)14-26(3,24(30)31)28-23(29)22-15-27-25(34-22)32-19-10-12-21-18(13-19)9-11-20(33-21)17-7-5-4-6-8-17/h4-8,10,12-13,15-16,20H,9,11,14H2,1-3H3,(H,28,29)(H,30,31)/t20-,26?/m0/s1
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| InChIKey |
FXYNZNVVFHTRNG-DQUNLGLBSA-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