General Information of the Compound
| Compound ID |
CP0544760
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| Compound Name |
US8618299, 41
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| Structure |
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| Formula |
C25H21F3N4O
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| Molecular Weight |
450.464
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| Canonical SMILES |
FC(F)(F)c1ccc(cn1)-c1ccn(-c2ccc3c4CN5CCCC5Cc4[nH]c3c2)c(=O)c1
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| InChI |
InChI=1S/C25H21F3N4O/c26-25(27,28)23-6-3-16(13-29-23)15-7-9-32(24(33)10-15)18-4-5-19-20-14-31-8-1-2-17(31)11-22(20)30-21(19)12-18/h3-7,9-10,12-13,17,30H,1-2,8,11,14H2
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| InChIKey |
JPWIRCXAUGCFNS-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