General Information of the Compound
| Compound ID |
CP0496796
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| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(R)-1-[3-(4-fluoro-phenyl)-propyl]-piperidin-3-yl}-urea
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| Structure |
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| Formula |
C25H32FN7O
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| Molecular Weight |
465.577
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@@H]2CCCN(CCCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H32FN7O/c1-3-18-14-20(24-29-30-31-32(24)2)16-23(15-18)28-25(34)27-22-7-5-13-33(17-22)12-4-6-19-8-10-21(26)11-9-19/h8-11,14-16,22H,3-7,12-13,17H2,1-2H3,(H2,27,28,34)/t22-/m1/s1
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| InChIKey |
YWAOFPGSUKFCJO-JOCHJYFZSA-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