General Information of the Compound
| Compound ID |
CP0524354
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| Compound Name |
2-[benzyl(ethyl)amino]-N-(3-phenylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C32H36N4O4
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| Molecular Weight |
540.664
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| Canonical SMILES |
CCN(Cc1ccccc1)c1ncc(C(=O)NCCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C32H36N4O4/c1-5-36(22-24-15-10-7-11-16-24)32-34-21-26(31(37)33-18-12-17-23-13-8-6-9-14-23)29(35-32)25-19-27(38-2)30(40-4)28(20-25)39-3/h6-11,13-16,19-21H,5,12,17-18,22H2,1-4H3,(H,33,37)
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| InChIKey |
JHSNEUWBQQVBLY-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