General Information of the Compound
| Compound ID |
CP0498480
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| Compound Name |
N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-N'-[2-(cyclohexylamino)-2-oxoethyl]-N'-methylbutanediamide
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| Structure |
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| Formula |
C31H37N5O5
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| Molecular Weight |
559.667
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)N(C)CC(=O)NC2CCCCC2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C31H37N5O5/c1-36(20-29(38)32-23-7-5-4-6-8-23)30(39)18-17-28(37)34-27-19-26(21-9-13-24(40-2)14-10-21)33-31(35-27)22-11-15-25(41-3)16-12-22/h9-16,19,23H,4-8,17-18,20H2,1-3H3,(H,32,38)(H,33,34,35,37)
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| InChIKey |
QYCBCBFKKVUXAC-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