General Information of the Compound
| Compound ID |
CP0579341
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| Compound Name |
propan-2-yl (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 |
C35H39N3O3
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| Molecular Weight |
549.715
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| Canonical SMILES |
CC(C)OC(=O)\C=C\c1cccc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C35H39N3O3/c1-25(2)41-34(39)20-14-26-9-8-12-32(22-26)38(35(40)29-10-6-5-7-11-29)24-27-13-19-33(30(21-27)23-36)28-15-17-31(18-16-28)37(3)4/h8-9,12-22,25,29H,5-7,10-11,24H2,1-4H3/b20-14+
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| InChIKey |
KLRUJFMKLVPOIJ-XSFVSMFZSA-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