General Information of the Compound
| Compound ID |
CP0494519
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| Compound Name |
(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
CC1CN(CCN1c1ncccn1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H22N4O/c1-17-16-25(14-15-26(17)22-23-12-5-13-24-22)21(27)20-10-8-19(9-11-20)18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3
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| InChIKey |
DXAHUFHFRZSFKN-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