General Information of the Compound
| Compound ID |
CP0543055
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| Compound Name |
N-[2-(benzylamino)-2-oxoethyl]-N'-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]butanediamide
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| Structure |
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| Formula |
C31H31N5O5
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| Molecular Weight |
553.619
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)NCC(=O)NCc2ccccc2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C31H31N5O5/c1-40-24-12-8-22(9-13-24)26-18-27(36-31(34-26)23-10-14-25(41-2)15-11-23)35-29(38)17-16-28(37)33-20-30(39)32-19-21-6-4-3-5-7-21/h3-15,18H,16-17,19-20H2,1-2H3,(H,32,39)(H,33,37)(H,34,35,36,38)
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| InChIKey |
NTLQJCNIJCPEGF-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