General Information of the Compound
| Compound ID |
CP0556508
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| Compound Name |
US8912224, 298
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| Structure |
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| Formula |
C23H22N2O4S
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| Molecular Weight |
422.506
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| Canonical SMILES |
O[C@@H]1CCN(C1)C(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C23H22N2O4S/c26-17-10-11-25(14-17)22(27)21-13-24-23(30-21)28-18-7-9-20-16(12-18)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9,12-13,17,19,26H,6,8,10-11,14H2/t17-,19?/m1/s1
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| InChIKey |
LXUSSEXNMUCOQU-DUSLRRAJSA-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