General Information of the Compound
| Compound ID |
CP0411459
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)pyrimidin-2-yl]oxypentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C29H35N3O4
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| Molecular Weight |
489.616
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| Canonical SMILES |
CCCCC(Oc1ncc(cn1)-c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C29H35N3O4/c1-5-6-7-25(21-8-10-22(11-9-21)27(35)30-17-16-26(33)34)36-28-31-18-23(19-32-28)20-12-14-24(15-13-20)29(2,3)4/h8-15,18-19,25H,5-7,16-17H2,1-4H3,(H,30,35)(H,33,34)
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| InChIKey |
IPNCSJBZJMWYER-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