General Information of the Compound
| Compound ID |
CP0422232
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| Compound Name |
2-[benzyl(ethyl)amino]-N-(4-phenylbutyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C33H38N4O4
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| Molecular Weight |
554.691
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| Canonical SMILES |
CCN(Cc1ccccc1)c1ncc(C(=O)NCCCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C33H38N4O4/c1-5-37(23-25-17-10-7-11-18-25)33-35-22-27(32(38)34-19-13-12-16-24-14-8-6-9-15-24)30(36-33)26-20-28(39-2)31(41-4)29(21-26)40-3/h6-11,14-15,17-18,20-22H,5,12-13,16,19,23H2,1-4H3,(H,34,38)
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| InChIKey |
VDDAZGQIGRCTLP-UHFFFAOYSA-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