General Information of the Compound
| Compound ID |
CP0961725
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-4-(dimethylamino)-2-methoxybenzamide
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| Structure |
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| Formula |
C28H28F2N4O3
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| Molecular Weight |
506.553
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| Canonical SMILES |
COc1cc(N(C)C)ccc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C28H28F2N4O3/c1-33(2)20-6-7-22(27(16-20)36-3)28(35)32-24-14-18(17-31)4-8-25(24)34-12-10-21(11-13-34)37-26-9-5-19(29)15-23(26)30/h4-9,14-16,21H,10-13H2,1-3H3,(H,32,35)
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| InChIKey |
OZVVYVJNDWQWHU-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