General Information of the Compound
| Compound ID |
CP0546484
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| Compound Name |
methyl (E)-3-[3-[[4-[2-chloro-4-(dimethylamino)phenyl]-3-cyanophenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C33H34ClN3O3
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| Molecular Weight |
556.106
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(c(c1)C#N)-c1ccc(cc1Cl)N(C)C)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C33H34ClN3O3/c1-36(2)27-14-16-30(31(34)20-27)29-15-12-24(18-26(29)21-35)22-37(33(39)25-9-5-4-6-10-25)28-11-7-8-23(19-28)13-17-32(38)40-3/h7-8,11-20,25H,4-6,9-10,22H2,1-3H3/b17-13+
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| InChIKey |
LFQUGQAIFHLFAU-GHRIWEEISA-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