General Information of the Compound
| Compound ID |
CP0425730
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[2-(4,4-dimethylpentyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C32H45NO4
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| Molecular Weight |
507.715
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| Canonical SMILES |
COc1ccc(CCCC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C32H45NO4/c1-32(2,3)16-6-8-25-12-13-27(36-4)20-30(25)33-17-14-23(15-18-33)22-37-28-9-5-7-26(19-28)29(21-31(34)35)24-10-11-24/h5,7,9,12-13,19-20,23-24,29H,6,8,10-11,14-18,21-22H2,1-4H3,(H,34,35)
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| InChIKey |
HXZMGBTZMHWXTB-UHFFFAOYSA-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