General Information of the Compound
| Compound ID |
CP0564628
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| Compound Name |
cyclopropyl (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 |
C35H37N3O3
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| Molecular Weight |
547.699
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC3CC3)c2)cc1C#N
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| InChI |
InChI=1S/C35H37N3O3/c1-37(2)30-15-13-27(14-16-30)33-19-11-26(21-29(33)23-36)24-38(35(40)28-8-4-3-5-9-28)31-10-6-7-25(22-31)12-20-34(39)41-32-17-18-32/h6-7,10-16,19-22,28,32H,3-5,8-9,17-18,24H2,1-2H3/b20-12+
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| InChIKey |
ZGXILAZJOMGKFV-UDWIEESQSA-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