General Information of the Compound
| Compound ID |
CP0400348
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| Compound Name |
[4-(3-chlorophenyl)phenyl]-(2,2-dimethyl-4-pyrimidin-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H23ClN4O
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| Molecular Weight |
406.917
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| Canonical SMILES |
CC1(C)CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
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| InChI |
InChI=1S/C23H23ClN4O/c1-23(2)16-27(22-25-11-4-12-26-22)13-14-28(23)21(29)18-9-7-17(8-10-18)19-5-3-6-20(24)15-19/h3-12,15H,13-14,16H2,1-2H3
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| InChIKey |
ZSWWBIUKCXXAIG-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