General Information of the Compound
| Compound ID |
CP0572744
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| Compound Name |
[4-(3-chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H19ClN4O
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| Molecular Weight |
378.863
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C21H19ClN4O/c22-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(27)25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14H2
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| InChIKey |
FORKQRVCGPWUGQ-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