General Information of the Compound
| Compound ID |
CP0378524
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| Compound Name |
1-((2R,3S)-4-(ethyl((S)-4-(4-fluorophenyl)butan-2-yl)amino)-3-hydroxybutan-2-yl)-3-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)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 |
CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C)[C@@H](C)CCc1ccc(F)cc1
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| InChI |
InChI=1S/C27H38FN7O2/c1-6-20-14-22(26-31-32-33-34(26)5)16-24(15-20)30-27(37)29-19(4)25(36)17-35(7-2)18(3)8-9-21-10-12-23(28)13-11-21/h10-16,18-19,25,36H,6-9,17H2,1-5H3,(H2,29,30,37)/t18-,19+,25-/m0/s1
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| InChIKey |
JRJPTAPFBNEIPL-CEYNDMKZSA-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