General Information of the Compound
| Compound ID |
CP0579975
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| Compound Name |
fluoromethyl (E)-3-[3-[[3-cyano-4-[4-(dimethylamino)phenyl]phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C33H34FN3O3
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| Molecular Weight |
539.651
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OCF)c2)cc1C#N
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| InChI |
InChI=1S/C33H34FN3O3/c1-36(2)29-15-13-26(14-16-29)31-17-11-25(19-28(31)21-35)22-37(33(39)27-8-4-3-5-9-27)30-10-6-7-24(20-30)12-18-32(38)40-23-34/h6-7,10-20,27H,3-5,8-9,22-23H2,1-2H3/b18-12+
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| InChIKey |
QJTTYKHATNTQRZ-LDADJPATSA-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