General Information of the Compound
| Compound ID |
CP0492035
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| Compound Name |
2-[[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]-methylamino]-N-tert-butylacetamide
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| Structure |
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| Formula |
C29H35N5O6
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| Molecular Weight |
549.628
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)COCC(=O)N(C)CC(=O)NC(C)(C)C)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H35N5O6/c1-29(2,3)33-25(35)16-34(4)27(37)18-40-17-26(36)31-24-15-23(19-7-11-21(38-5)12-8-19)30-28(32-24)20-9-13-22(39-6)14-10-20/h7-15H,16-18H2,1-6H3,(H,33,35)(H,30,31,32,36)
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| InChIKey |
NJDHCZPTASLBSY-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