General Information of the Compound
| Compound ID |
CP0509027
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| Compound Name |
US8912224, 349
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| Structure |
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| Formula |
C25H25FN4O4S
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| Molecular Weight |
496.564
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| Canonical SMILES |
Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(s3)C(=O)NCCN3CCNC3=O)ccc2O1
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| InChI |
InChI=1S/C25H25FN4O4S/c1-15-2-4-17(26)13-19(15)21-6-3-16-12-18(5-7-20(16)34-21)33-25-29-14-22(35-25)23(31)27-8-10-30-11-9-28-24(30)32/h2,4-5,7,12-14,21H,3,6,8-11H2,1H3,(H,27,31)(H,28,32)
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| InChIKey |
YYLJFTHPNOBRPH-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