General Information of the Compound
Compound ID |
CP0374460
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Compound Name |
1-[1-(4-Fluoro-benzyl)-piperidin-4-ylmethyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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Structure |
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Formula |
C22H26FN7O
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Molecular Weight |
423.496
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Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1
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InChI |
InChI=1S/C22H26FN7O/c1-29-21(26-27-28-29)18-3-2-4-20(13-18)25-22(31)24-14-16-9-11-30(12-10-16)15-17-5-7-19(23)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,24,25,31)
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InChIKey |
JNXCEDLVZXRHDH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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