General Information of the Compound
| Compound ID |
CP0490718
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| Compound Name |
1-{(S)-1-[3-(4-Fluoro-phenyl)-propyl]-piperidin-3-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)NCC2CCCN(CCCc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-7-2-8-22(15-20)27-24(33)26-16-19-6-4-14-32(17-19)13-3-5-18-9-11-21(25)12-10-18/h2,7-12,15,19H,3-6,13-14,16-17H2,1H3,(H2,26,27,33)
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| InChIKey |
QQUPACWFQWPKMM-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