General Information of the Compound
| Compound ID |
CP0454109
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| Compound Name |
1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(2,2,2-trifluoroethyl)amino)-3-hydroxybutan-2-yl)urea
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| Structure |
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| Formula |
C26H33F4N7O2
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| Molecular Weight |
551.589
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC(F)(F)F)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H33F4N7O2/c1-4-18-12-20(24-33-34-35-36(24)3)14-22(13-18)32-25(39)31-17(2)23(38)15-37(16-26(28,29)30)11-5-6-19-7-9-21(27)10-8-19/h7-10,12-14,17,23,38H,4-6,11,15-16H2,1-3H3,(H2,31,32,39)/t17-,23+/m1/s1
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| InChIKey |
VOVATKVSXOZNPW-HXOBKFHXSA-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