General Information of the Compound
| Compound ID |
CP0545877
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| Compound Name |
N'-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-N-[2-(tert-butylamino)-2-oxoethyl]butanediamide
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| Structure |
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| Formula |
C28H33N5O5
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| Molecular Weight |
519.602
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)NCC(=O)NC(C)(C)C)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H33N5O5/c1-28(2,3)33-26(36)17-29-24(34)14-15-25(35)31-23-16-22(18-6-10-20(37-4)11-7-18)30-27(32-23)19-8-12-21(38-5)13-9-19/h6-13,16H,14-15,17H2,1-5H3,(H,29,34)(H,33,36)(H,30,31,32,35)
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| InChIKey |
SYBWOOCOUAKFFL-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