General Information of the Compound
| Compound ID |
CP0498479
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| Compound Name |
N'-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-N-[2-(cyclohexylamino)-2-oxoethyl]butanediamide
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| Structure |
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| Formula |
C30H35N5O5
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| Molecular Weight |
545.64
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)NCC(=O)NC2CCCCC2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H35N5O5/c1-39-23-12-8-20(9-13-23)25-18-26(35-30(33-25)21-10-14-24(40-2)15-11-21)34-28(37)17-16-27(36)31-19-29(38)32-22-6-4-3-5-7-22/h8-15,18,22H,3-7,16-17,19H2,1-2H3,(H,31,36)(H,32,38)(H,33,34,35,37)
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| InChIKey |
ZVXUAGLTBUQZTR-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