General Information of the Compound
| Compound ID |
CP0544110
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| Compound Name |
US8912224, 244
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| Structure |
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| Formula |
C28H24N2O5S
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| Molecular Weight |
500.576
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C28H24N2O5S/c31-26(30-22(27(32)33)15-18-7-3-1-4-8-18)25-17-29-28(36-25)34-21-12-14-24-20(16-21)11-13-23(35-24)19-9-5-2-6-10-19/h1-10,12,14,16-17,22-23H,11,13,15H2,(H,30,31)(H,32,33)/t22-,23-/m0/s1
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| InChIKey |
SVVQIWNNIVRFJU-GOTSBHOMSA-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