General Information of the Compound
| Compound ID |
CP0263956
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| Compound Name |
1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]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)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H34FN7O/c1-3-19-15-22(25-30-31-32-33(25)2)17-24(16-19)29-26(35)28-11-5-13-34-12-4-6-21(18-34)14-20-7-9-23(27)10-8-20/h7-10,15-17,21H,3-6,11-14,18H2,1-2H3,(H2,28,29,35)/t21-/m0/s1
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| InChIKey |
CLXQASNQVOBRFA-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