General Information of the Compound
| Compound ID |
CP0534828
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| Compound Name |
4-(2-(4,6-diphenylpicolinamido)acetyl)piperazin-1-yl propionate
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
CCC(=O)ON1CCN(CC1)C(=O)CNC(=O)c1cc(cc(n1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4O4/c1-2-26(33)35-31-15-13-30(14-16-31)25(32)19-28-27(34)24-18-22(20-9-5-3-6-10-20)17-23(29-24)21-11-7-4-8-12-21/h3-12,17-18H,2,13-16,19H2,1H3,(H,28,34)
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| InChIKey |
DQAAHDNNVBJCFO-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