General Information of the Compound
| Compound ID |
CP0575046
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| Compound Name |
N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetamide
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| Structure |
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| Formula |
C23H20ClF3N4O5
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| Molecular Weight |
524.883
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Cc2nn(CC(=O)N3CCOCC3)c(=O)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C23H20ClF3N4O5/c24-17-11-14(5-6-19(17)36-23(25,26)27)28-20(32)12-18-15-3-1-2-4-16(15)22(34)31(29-18)13-21(33)30-7-9-35-10-8-30/h1-6,11H,7-10,12-13H2,(H,28,32)
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| InChIKey |
HFSKGHXCRQGOCU-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