General Information of the Compound
| Compound ID |
CP0546483
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| Compound Name |
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]-3-(methoxymethyl)phenyl]methyl]amino]phenyl]prop-2-enoate
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| Structure |
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| Formula |
C34H40N2O4
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| Molecular Weight |
540.704
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| Canonical SMILES |
COCc1cc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)ccc1-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C34H40N2O4/c1-35(2)30-17-15-27(16-18-30)32-19-13-26(21-29(32)24-39-3)23-36(34(38)28-10-6-5-7-11-28)31-12-8-9-25(22-31)14-20-33(37)40-4/h8-9,12-22,28H,5-7,10-11,23-24H2,1-4H3/b20-14+
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| InChIKey |
WHOPEVNNYBQHTB-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