General Information of the Compound
| Compound ID |
CP0529507
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| Compound Name |
US9340500, I-056
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| Structure |
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| Formula |
C32H31F3N4O3
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| Molecular Weight |
576.619
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C32H31F3N4O3/c1-21-28(30(41)37-27-12-7-11-25(19-27)32(33,34)35)20-29(23-9-5-4-6-10-23)39(21)18-8-17-38(3)31(42)24-13-15-26(16-14-24)36-22(2)40/h4-7,9-16,19-20H,8,17-18H2,1-3H3,(H,36,40)(H,37,41)
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| InChIKey |
JQFUWSFUNNYOFY-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