General Information of the Compound
| Compound ID |
CP0940920
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| Compound Name |
US8614213, 1.35a
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| Structure |
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| Formula |
C25H25ClF4N4O
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| Molecular Weight |
508.947
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| Canonical SMILES |
C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1CNc1cc(-c2ccc(F)cc2)[nH]n1
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| InChI |
InChI=1S/C25H25ClF4N4O/c1-14-10-19(32-24(35)20-11-17(25(28,29)30)5-9-21(20)26)8-4-16(14)13-31-23-12-22(33-34-23)15-2-6-18(27)7-3-15/h2-3,5-7,9,11-12,14,16,19H,4,8,10,13H2,1H3,(H,32,35)(H2,31,33,34)/t14-,16-,19+/m1/s1
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| InChIKey |
RYGKCEUKVORYIA-OGWOLHLISA-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