General Information of the Compound
| Compound ID |
CP0486928
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| Compound Name |
1-{(3S,4S)-4-Ethyl-1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-3-ylmethyl}-3-[3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C27H36FN7O
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| Molecular Weight |
493.631
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| Canonical SMILES |
CC[C@H]1CCN(CCc2ccc(F)cc2)C[C@@H]1CNC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H36FN7O/c1-4-19-14-22(26-31-32-33-34(26)3)16-25(15-19)30-27(36)29-17-23-18-35(13-11-21(23)5-2)12-10-20-6-8-24(28)9-7-20/h6-9,14-16,21,23H,4-5,10-13,17-18H2,1-3H3,(H2,29,30,36)/t21-,23-/m0/s1
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| InChIKey |
WLGFAARWTXZRGB-GMAHTHKFSA-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