General Information of the Compound
| Compound ID |
CP0556992
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| Compound Name |
(1,3-diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
O=C(N1CCN(CCN2CCCC2)CC1)c1cn(nc1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C26H31N5O/c32-26(30-19-17-29(18-20-30)16-15-28-13-7-8-14-28)24-21-31(23-11-5-2-6-12-23)27-25(24)22-9-3-1-4-10-22/h1-6,9-12,21H,7-8,13-20H2
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| InChIKey |
LJEWEWGANFCCLU-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