General Information of the Compound
| Compound ID |
CP0374461
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| Compound Name |
1-{1-[3-(4-Fluoro-phenyl)-propyl]-piperidin-4-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C24H30FN7O
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| Molecular Weight |
451.55
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| Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)NCC2CCN(CCCc3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-5-2-6-22(16-20)27-24(33)26-17-19-11-14-32(15-12-19)13-3-4-18-7-9-21(25)10-8-18/h2,5-10,16,19H,3-4,11-15,17H2,1H3,(H2,26,27,33)
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| InChIKey |
IYNWAYIPRKOYBN-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