General Information of the Compound
| Compound ID |
CP0535395
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| Compound Name |
1-benzyl-1-ethyl-3-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]urea
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| Structure |
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| Formula |
C24H34N2O3
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| Molecular Weight |
398.547
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)N(CC)Cc1ccccc1
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| InChI |
InChI=1S/C24H34N2O3/c1-4-9-19(3)18-29-22-14-12-21(13-15-22)23(17-27)25-24(28)26(5-2)16-20-10-7-6-8-11-20/h6-8,10-15,19,23,27H,4-5,9,16-18H2,1-3H3,(H,25,28)/t19?,23-/m0/s1
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| InChIKey |
VOMVMNHXCDLDMT-BVHINDKJSA-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