General Information of the Compound
| Compound ID |
CP0541859
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| Compound Name |
US8653125, Ic-14
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| Formula |
C25H24F3N3O4
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| Molecular Weight |
487.478
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| Canonical SMILES |
CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(ccc3C#N)C(F)(F)F)cc2oc1=O
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| InChI |
InChI=1S/C25H24F3N3O4/c1-14(2)31-20-10-7-18(12-22(20)35-24(31)33)30-23(32)15-4-8-19(9-5-15)34-21-11-17(25(26,27)28)6-3-16(21)13-29/h3,6-7,10-12,14-15,19H,4-5,8-9H2,1-2H3,(H,30,32)/t15-,19+
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| InChIKey |
ZPABSALHRDBLAL-GLRZTSSQSA-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