General Information of the Compound
| Compound ID |
CP0425367
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[4-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C28H36FN7O
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| Molecular Weight |
505.642
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| Canonical SMILES |
Cn1nnnc1-c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1
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| InChI |
InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-10-14-25(15-11-22)30-28(37)31-26-7-3-2-6-23(26)19-36-16-4-5-21(18-36)17-20-8-12-24(29)13-9-20/h8-15,21,23,26H,2-7,16-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
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| InChIKey |
LWUHFNIVZIRWQA-RZPFDVGOSA-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