General Information of the Compound
| Compound ID |
CP0474337
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| Compound Name |
2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C23H23N5O2/c29-21(17-18-5-2-1-3-6-18)26-20-9-7-19(8-10-20)22(30)27-13-15-28(16-14-27)23-24-11-4-12-25-23/h1-12H,13-17H2,(H,26,29)
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| InChIKey |
PRNRHIGTJWZPDT-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