General Information of the Compound
| Compound ID |
CP0944106
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| Compound Name |
1-({1-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]azetidin-3-yl}methyl)-N-[(3-fluoropyridin-2-yl)methyl]-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H24FN7O
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| Molecular Weight |
433.491
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1cnn(CC2CN(CCc3nc4ccccc4[nH]3)C2)c1
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| InChI |
InChI=1S/C23H24FN7O/c24-18-4-3-8-25-21(18)11-26-23(32)17-10-27-31(15-17)14-16-12-30(13-16)9-7-22-28-19-5-1-2-6-20(19)29-22/h1-6,8,10,15-16H,7,9,11-14H2,(H,26,32)(H,28,29)
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| InChIKey |
PVGZGVLLHRSLEX-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