General Information of the Compound
| Compound ID |
CP0542241
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| Compound Name |
1-[4-(3-chlorophenyl)benzoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
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| Structure |
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| Formula |
C22H19ClN4O3
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| Molecular Weight |
422.872
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| Canonical SMILES |
OC(=O)C1CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
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| InChI |
InChI=1S/C22H19ClN4O3/c23-18-4-1-3-17(13-18)15-5-7-16(8-6-15)20(28)27-12-11-26(14-19(27)21(29)30)22-24-9-2-10-25-22/h1-10,13,19H,11-12,14H2,(H,29,30)
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| InChIKey |
SNSQXGGAKOTWQM-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