General Information of the Compound
| Compound ID |
CP0962785
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| Compound Name |
2-(((trans)-4-((3-benzhydryl-1,3-dimethylureido)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
CN(C[C@H]1CC[C@H](COCC(=O)O)CC1)C(=O)N(C)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H34N2O4/c1-27(17-20-13-15-21(16-14-20)18-32-19-24(29)30)26(31)28(2)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,20-21,25H,13-19H2,1-2H3,(H,29,30)/t20-,21-
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| InChIKey |
UJSOQAHBKVLLLL-MEMLXQNLSA-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