General Information of the Compound
| Compound ID |
CP0547092
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| Compound Name |
N-benzyl-2-[[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]-methylamino]acetamide
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| Structure |
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| Formula |
C32H33N5O6
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| Molecular Weight |
583.645
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)COCC(=O)N(C)CC(=O)NCc2ccccc2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C32H33N5O6/c1-37(19-29(38)33-18-22-7-5-4-6-8-22)31(40)21-43-20-30(39)35-28-17-27(23-9-13-25(41-2)14-10-23)34-32(36-28)24-11-15-26(42-3)16-12-24/h4-17H,18-21H2,1-3H3,(H,33,38)(H,34,35,36,39)
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| InChIKey |
RRRKTSXIULFMTD-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