General Information of the Compound
| Compound ID |
CP0486804
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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)(propyl)amino)-3-hydroxybutan-2-yl)urea
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| Structure |
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| Formula |
C27H38FN7O2
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| Molecular Weight |
511.646
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| Canonical SMILES |
CCCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H38FN7O2/c1-5-13-35(14-7-8-21-9-11-23(28)12-10-21)18-25(36)19(3)29-27(37)30-24-16-20(6-2)15-22(17-24)26-31-32-33-34(26)4/h9-12,15-17,19,25,36H,5-8,13-14,18H2,1-4H3,(H2,29,30,37)/t19-,25+/m1/s1
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| InChIKey |
MUBGPUBCDUZPSB-CLOONOSVSA-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