General Information of the Compound
| Compound ID |
CP0529331
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| Compound Name |
US8912224, 362
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| Structure |
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| Formula |
C26H25FN4O4S
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| Molecular Weight |
508.575
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| Canonical SMILES |
CCn1nccc1CNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccc(OC)c2F)s1
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| InChI |
InChI=1S/C26H25FN4O4S/c1-3-31-17(11-12-30-31)14-28-25(32)23-15-29-26(36-23)34-18-8-10-20-16(13-18)7-9-21(35-20)19-5-4-6-22(33-2)24(19)27/h4-6,8,10-13,15,21H,3,7,9,14H2,1-2H3,(H,28,32)
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| InChIKey |
UDMNHKWYGOQFFI-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