General Information of the Compound
| Compound ID |
CP0944226
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| Compound Name |
1-(4-((S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methyl-4-oxobutan-2-yl)-3-((S)-3-hydroxy-3-methylbutan-2-yl)urea
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| Structure |
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| Formula |
C24H38ClN3O4
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| Molecular Weight |
468.038
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| Canonical SMILES |
C[C@H](NC(=O)NC(C)(C)CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O
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| InChI |
InChI=1S/C24H38ClN3O4/c1-16(23(6,7)31)26-20(30)27-22(4,5)14-19(29)28-13-12-24(32,21(2,3)15-28)17-8-10-18(25)11-9-17/h8-11,16,31-32H,12-15H2,1-7H3,(H2,26,27,30)/t16-,24-/m0/s1
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| InChIKey |
KGYBADCNFZWZHV-FYSMJZIKSA-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