General Information of the Compound
| Compound ID |
CP0477260
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| Compound Name |
3-(4-chlorobenzyl)-7-(4-methylpiperazin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
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| Structure |
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| Formula |
C16H18ClN7
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| Molecular Weight |
343.822
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| Canonical SMILES |
CN1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)nnc12
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| InChI |
InChI=1S/C16H18ClN7/c1-22-6-8-23(9-7-22)15-14-16(19-11-18-15)24(21-20-14)10-12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3
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| InChIKey |
FUMMLQYQRKCOQV-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