General Information of the Compound
| Compound ID |
CP0875178
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| Compound Name |
2-(((trans)-4-((benzhydryl(propyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C27H35NO5
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| Molecular Weight |
453.579
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| Canonical SMILES |
CCCN(C(=O)OC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H35NO5/c1-2-17-28(26(23-9-5-3-6-10-23)24-11-7-4-8-12-24)27(31)33-19-22-15-13-21(14-16-22)18-32-20-25(29)30/h3-12,21-22,26H,2,13-20H2,1H3,(H,29,30)/t21-,22-
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| InChIKey |
IXDRBBFIGQBDTO-HZCBDIJESA-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