General Information of the Compound
| Compound ID |
CP0529328
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| Compound Name |
US8912224, 253
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| Structure |
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| Formula |
C20H18FN3O4S
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| Molecular Weight |
415.446
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| Canonical SMILES |
OCCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cncc(F)c2)s1
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| InChI |
InChI=1S/C20H18FN3O4S/c21-14-7-13(9-22-10-14)17-3-1-12-8-15(2-4-16(12)28-17)27-20-24-11-18(29-20)19(26)23-5-6-25/h2,4,7-11,17,25H,1,3,5-6H2,(H,23,26)
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| InChIKey |
OULWKINYRKXNTC-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