General Information of the Compound
| Compound ID |
CP0536896
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| Compound Name |
5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
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| Structure |
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| Formula |
C24H23N5O2
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| Molecular Weight |
413.481
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| Canonical SMILES |
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCC(CC1)C#N
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| InChI |
InChI=1S/C24H23N5O2/c25-15-18-9-12-29(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)28-20-8-11-26-27-16-20/h1-8,11,14,16,18H,9-10,12-13,17H2,(H,26,28,30)
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| InChIKey |
ZPZSBZQIZOWSPG-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