General Information of the Compound
| Compound ID |
CP0172628
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| Compound Name |
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
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| Structure |
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| Formula |
C20H22N4
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| Molecular Weight |
318.424
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| Canonical SMILES |
C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
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| InChIKey |
PMMMMZICRVMUKQ-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