General Information of the Compound
| Compound ID |
CP0515991
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| Compound Name |
1-((1R,2S)-2-(((3-(4-fluorophenyl)propyl)(2,2,2-trifluoroethyl)amino)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C27H33F4N7O
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| Molecular Weight |
547.601
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| Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN(CCCc2ccc(F)cc2)CC(F)(F)F)c1
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| InChI |
InChI=1S/C27H33F4N7O/c1-37-25(34-35-36-37)20-8-4-9-23(16-20)32-26(39)33-24-10-3-2-7-21(24)17-38(18-27(29,30)31)15-5-6-19-11-13-22(28)14-12-19/h4,8-9,11-14,16,21,24H,2-3,5-7,10,15,17-18H2,1H3,(H2,32,33,39)/t21-,24+/m0/s1
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| InChIKey |
CNFOPUXFDNSVFS-XUZZJYLKSA-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