General Information of the Compound
| Compound ID |
CP0522354
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| Compound Name |
1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-((2R,3S)-4-(N-(3-(4-fluorophenyl)propyl)methan-12-ylsulfonamido)-3-hydroxybutan-2-yl)urea
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| Structure |
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| Formula |
C25H34FN7O4S
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| Molecular Weight |
547.657
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)S(C)(=O)=O)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H34FN7O4S/c1-5-18-13-20(24-29-30-31-32(24)3)15-22(14-18)28-25(35)27-17(2)23(34)16-33(38(4,36)37)12-6-7-19-8-10-21(26)11-9-19/h8-11,13-15,17,23,34H,5-7,12,16H2,1-4H3,(H2,27,28,35)/t17-,23+/m1/s1
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| InChIKey |
LESCJEJUMNIEBF-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