General Information of the Compound
| Compound ID |
CP0411460
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| Compound Name |
3-[[4-[1-[5-(3,5-dichlorophenyl)pyrimidin-2-yl]oxypentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C25H25Cl2N3O4
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| Molecular Weight |
502.398
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| Canonical SMILES |
CCCCC(Oc1ncc(cn1)-c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C25H25Cl2N3O4/c1-2-3-4-22(16-5-7-17(8-6-16)24(33)28-10-9-23(31)32)34-25-29-14-19(15-30-25)18-11-20(26)13-21(27)12-18/h5-8,11-15,22H,2-4,9-10H2,1H3,(H,28,33)(H,31,32)
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| InChIKey |
PATCZANRLBPZFV-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