General Information of the Compound
| Compound ID |
CP0575746
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| Compound Name |
N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-(4-oxo-3-pyrrolidin-3-ylphthalazin-1-yl)acetamide
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| Structure |
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| Formula |
C21H18ClF3N4O3
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| Molecular Weight |
466.847
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Cc2nn(C3CCNC3)c(=O)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C21H18ClF3N4O3/c22-16-9-12(5-6-18(16)32-21(23,24)25)27-19(30)10-17-14-3-1-2-4-15(14)20(31)29(28-17)13-7-8-26-11-13/h1-6,9,13,26H,7-8,10-11H2,(H,27,30)
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| InChIKey |
LMQOYCWQXHLRIU-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