General Information of the Compound
| Compound ID |
CP0438509
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| Compound Name |
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
O=C(C1CCN(CC1)C(=O)c1ccccn1)N1N=CCC1c1ccccc1
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| InChI |
InChI=1S/C21H22N4O2/c26-20(25-19(9-13-23-25)16-6-2-1-3-7-16)17-10-14-24(15-11-17)21(27)18-8-4-5-12-22-18/h1-8,12-13,17,19H,9-11,14-15H2
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| InChIKey |
CWBLKBNCFMSXMO-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