General Information of the Compound
| Compound ID |
CP0503545
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| Compound Name |
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-(methoxymethyl)pyrimidin-4-yl]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C24H25Cl2N3O3
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| Molecular Weight |
474.388
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| Canonical SMILES |
COCc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
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| InChI |
InChI=1S/C24H25Cl2N3O3/c1-24(2,23(30)31)17-6-4-5-16(11-17)20-13-21(29-22(28-20)14-32-3)27-10-9-15-7-8-18(25)12-19(15)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,30,31)(H,27,28,29)
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| InChIKey |
SBPWDGHALBJDEV-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