General Information of the Compound
| Compound ID |
CP0542242
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| Compound Name |
[4-(4-chlorophenyl)phenyl]-[(2S)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H21ClN4O
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| Molecular Weight |
392.89
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc(cc1)-c1ccc(Cl)cc1)c1ncccn1
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| InChI |
InChI=1S/C22H21ClN4O/c1-16-15-26(22-24-11-2-12-25-22)13-14-27(16)21(28)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h2-12,16H,13-15H2,1H3/t16-/m0/s1
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| InChIKey |
BYEFJGPFPNMSBM-INIZCTEOSA-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