General Information of the Compound
| Compound ID |
CP0503875
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| Compound Name |
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-6-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H22Cl2N8O
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| Molecular Weight |
449.346
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| Canonical SMILES |
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(n1)N1CCCC(C1)c1nnn[nH]1
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| InChI |
InChI=1S/C19H22Cl2N8O/c1-30-19-23-16(22-7-6-12-4-5-14(20)9-15(12)21)10-17(24-19)29-8-2-3-13(11-29)18-25-27-28-26-18/h4-5,9-10,13H,2-3,6-8,11H2,1H3,(H,22,23,24)(H,25,26,27,28)
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| InChIKey |
WIPUKXPYAIVMNH-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