General Information of the Compound
| Compound ID |
CP0486803
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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-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C25H34FN7O2
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| Molecular Weight |
483.592
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| Canonical SMILES |
CCN(C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](C)CCc1ccc(F)cc1
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| InChI |
InChI=1S/C25H34FN7O2/c1-5-33(17(2)9-10-19-11-13-21(26)14-12-19)16-23(34)18(3)27-25(35)28-22-8-6-7-20(15-22)24-29-30-31-32(24)4/h6-8,11-15,17-18,23,34H,5,9-10,16H2,1-4H3,(H2,27,28,35)/t17-,18+,23-/m0/s1
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| InChIKey |
GGPPNDUNCABTNM-IXFSTUDKSA-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