General Information of the Compound
| Compound ID |
CP0880275
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| Compound Name |
1-{1-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]piperidin-4-yl}-N-[(3-fluoropyridin-2-yl)methyl]-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H26FN7O
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| Molecular Weight |
447.518
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1cnn(C2CCN(CCc3nc4ccccc4[nH]3)CC2)c1
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| InChI |
InChI=1S/C24H26FN7O/c25-19-4-3-10-26-22(19)15-27-24(33)17-14-28-32(16-17)18-7-11-31(12-8-18)13-9-23-29-20-5-1-2-6-21(20)30-23/h1-6,10,14,16,18H,7-9,11-13,15H2,(H,27,33)(H,29,30)
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| InChIKey |
HYUGNWBKOFVGEL-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