General Information of the Compound
| Compound ID |
CP0523429
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| Compound Name |
1-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C25H25Cl2N3O3
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| Molecular Weight |
486.399
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| Canonical SMILES |
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C1(CCCC1)C(O)=O
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| InChI |
InChI=1S/C25H25Cl2N3O3/c1-33-24-29-21(15-22(30-24)28-12-9-16-7-8-19(26)14-20(16)27)17-5-4-6-18(13-17)25(23(31)32)10-2-3-11-25/h4-8,13-15H,2-3,9-12H2,1H3,(H,31,32)(H,28,29,30)
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| InChIKey |
RMTQEEYHUNGCDX-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