General Information of the Compound
| Compound ID |
CP0425139
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| Compound Name |
1-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C19H22Cl2N4O3
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| Molecular Weight |
425.316
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| Canonical SMILES |
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)N1CCC(CC1)C(O)=O
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| InChI |
InChI=1S/C19H22Cl2N4O3/c1-28-19-23-16(22-7-4-12-2-3-14(20)10-15(12)21)11-17(24-19)25-8-5-13(6-9-25)18(26)27/h2-3,10-11,13H,4-9H2,1H3,(H,26,27)(H,22,23,24)
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| InChIKey |
BYAWAXOLOBCSIC-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