General Information of the Compound
| Compound ID |
CP0575855
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| Compound Name |
US9340500, I-079
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| Structure |
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| Formula |
C21H23F3N4O2
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| Molecular Weight |
420.435
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| Canonical SMILES |
Cc1c(cc(C#N)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N4O2/c1-15-19(20(29)26-17-5-2-4-16(12-17)21(22,23)24)13-18(14-25)28(15)7-3-6-27-8-10-30-11-9-27/h2,4-5,12-13H,3,6-11H2,1H3,(H,26,29)
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| InChIKey |
CZWOSNSJUXMHOV-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