General Information of the Compound
| Compound ID |
CP0379279
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| Compound Name |
1-{(S)-1-[2-(4-Fluoro-phenyl)-ethyl]-piperidin-3-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C23H28FN7O
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| Molecular Weight |
437.523
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| Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)NCC2CCCN(CCc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C23H28FN7O/c1-30-22(27-28-29-30)19-5-2-6-21(14-19)26-23(32)25-15-18-4-3-12-31(16-18)13-11-17-7-9-20(24)10-8-17/h2,5-10,14,18H,3-4,11-13,15-16H2,1H3,(H2,25,26,32)
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| InChIKey |
VJZFYTPWAOAASO-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