General Information of the Compound
| Compound ID |
CP0374503
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| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(S)-1-[3-(4-fluoro-phenyl)-propyl]-piperidin-3-ylmethyl}-urea
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| Structure |
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| Formula |
C26H34FN7O
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| Molecular Weight |
479.604
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| Canonical SMILES |
CCc1cc(NC(=O)NC[C@@H]2CCCN(CCCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H34FN7O/c1-3-19-14-22(25-30-31-32-33(25)2)16-24(15-19)29-26(35)28-17-21-7-5-13-34(18-21)12-4-6-20-8-10-23(27)11-9-20/h8-11,14-16,21H,3-7,12-13,17-18H2,1-2H3,(H2,28,29,35)/t21-/m0/s1
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| InChIKey |
ZNHOHPSHSBMVBS-NRFANRHFSA-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