General Information of the Compound
| Compound ID |
CP0545495
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| Compound Name |
methyl (E)-3-[3-[[3-cyano-4-[4-(dimethylamino)-2-methylphenyl]phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C34H37N3O3
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| Molecular Weight |
535.688
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| Canonical SMILES |
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(c(c1)C#N)-c1ccc(cc1C)N(C)C)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C34H37N3O3/c1-24-19-29(36(2)3)15-17-31(24)32-16-13-26(20-28(32)22-35)23-37(34(39)27-10-6-5-7-11-27)30-12-8-9-25(21-30)14-18-33(38)40-4/h8-9,12-21,27H,5-7,10-11,23H2,1-4H3/b18-14+
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| InChIKey |
ZALKFXMLPCAQHP-NBVRZTHBSA-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