General Information of the Compound
| Compound ID |
CP0522353
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| Compound Name |
1-((1R,2S)-2-((3-(4-fluorophenyl)propylamino)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C25H32FN7O
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| Molecular Weight |
465.577
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| Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CNCCCc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C25H32FN7O/c1-33-24(30-31-32-33)19-8-4-9-22(16-19)28-25(34)29-23-10-3-2-7-20(23)17-27-15-5-6-18-11-13-21(26)14-12-18/h4,8-9,11-14,16,20,23,27H,2-3,5-7,10,15,17H2,1H3,(H2,28,29,34)/t20-,23+/m0/s1
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| InChIKey |
BIHUZMHUADUJOS-NZQKXSOJSA-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