General Information of the Compound
| Compound ID |
CP0413838
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| Compound Name |
3-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzoic acid
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| Structure |
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| Formula |
C34H39N3O4
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| Molecular Weight |
553.703
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| Canonical SMILES |
OC(=O)c1cccc(Oc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCCCC4)C3=O)c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C34H39N3O4/c38-33(39)27-10-7-13-31(22-27)41-30-16-14-25(15-17-30)23-35-20-18-29(19-21-35)37-32(26-8-3-1-4-9-26)24-36(34(37)40)28-11-5-2-6-12-28/h1,3-4,7-10,13-17,22,28-29,32H,2,5-6,11-12,18-21,23-24H2,(H,38,39)/t32-/m0/s1
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| InChIKey |
VEFVDNGKAXKYKZ-YTTGMZPUSA-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