General Information of the Compound
| Compound ID |
CP0557610
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| Compound Name |
US8912224, 64
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| Structure |
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| Formula |
C26H23N3O3S
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| Molecular Weight |
457.555
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| Canonical SMILES |
Cc1ccc(cn1)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H23N3O3S/c1-17-7-8-20(14-27-17)25(30)28-15-22-16-29-26(33-22)31-21-10-12-24-19(13-21)9-11-23(32-24)18-5-3-2-4-6-18/h2-8,10,12-14,16,23H,9,11,15H2,1H3,(H,28,30)
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| InChIKey |
GCEXBIVGIVOLQZ-UHFFFAOYSA-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