General Information of the Compound
| Compound ID |
CP0400475
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| Compound Name |
US9340500, I-054
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| Structure |
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| Formula |
C29H27F3N4O2
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| Molecular Weight |
520.555
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1ccccn1
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| InChI |
InChI=1S/C29H27F3N4O2/c1-20-24(27(37)34-23-13-8-12-22(18-23)29(30,31)32)19-26(21-10-4-3-5-11-21)36(20)17-9-16-35(2)28(38)25-14-6-7-15-33-25/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,34,37)
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| InChIKey |
IFJDHFGXFQJLER-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