General Information of the Compound
| Compound ID |
CP0263957
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| Compound Name |
1-(3-((S)-3-(4-fluorobenzyl)piperidin-1-yl)propyl)-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)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C24H30FN7O/c1-31-23(28-29-30-31)20-6-2-7-22(16-20)27-24(33)26-12-4-14-32-13-3-5-19(17-32)15-18-8-10-21(25)11-9-18/h2,6-11,16,19H,3-5,12-15,17H2,1H3,(H2,26,27,33)/t19-/m0/s1
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| InChIKey |
DQSLLQXQXYFIRA-IBGZPJMESA-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