General Information of the Compound
| Compound ID |
CP0552083
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| Compound Name |
methyl (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 |
C33H35N3O3
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| Molecular Weight |
521.661
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| Canonical SMILES |
COC(=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/C33H35N3O3/c1-35(2)29-16-14-26(15-17-29)31-18-12-25(20-28(31)22-34)23-36(33(38)27-9-5-4-6-10-27)30-11-7-8-24(21-30)13-19-32(37)39-3/h7-8,11-21,27H,4-6,9-10,23H2,1-3H3/b19-13+
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| InChIKey |
GKUOGOCWAZEYDB-CPNJWEJPSA-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