General Information of the Compound
| Compound ID |
CP0876841
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| Compound Name |
5-Benzyl-4,6-dichloro-2-pyridin-2-yl-pyrimidine
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| Structure |
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| Formula |
C16H11Cl2N3
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| Molecular Weight |
316.191
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| Canonical SMILES |
Clc1nc(-c2ccccn2)nc(Cl)c1Cc1ccccc1
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| InChI |
InChI=1S/C16H11Cl2N3/c17-14-12(10-11-6-2-1-3-7-11)15(18)21-16(20-14)13-8-4-5-9-19-13/h1-9H,10H2
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| InChIKey |
TVIOYGLVUYSVCT-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