General Information of the Compound
| Compound ID |
CP0563938
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| Compound Name |
US8912224, 9
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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 |
Cc1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1
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| InChI |
InChI=1S/C26H23N3O3S/c1-17-13-18(11-12-27-17)15-28-25(30)24-16-29-26(33-24)31-21-8-10-23-20(14-21)7-9-22(32-23)19-5-3-2-4-6-19/h2-6,8,10-14,16,22H,7,9,15H2,1H3,(H,28,30)
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| InChIKey |
NWFOYYKKOKDTOM-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