General Information of the Compound
| Compound ID |
CP0507650
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| Compound Name |
(1-Methoxymethyl-2-phenyl-ethyl)-[5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-amine
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| Structure |
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| Formula |
C24H28N6O
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| Molecular Weight |
416.529
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| Canonical SMILES |
COCC(Cc1ccccc1)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C24H28N6O/c1-15-11-16(2)22(17(3)12-15)30-24-21(28-29-30)23(25-18(4)26-24)27-20(14-31-5)13-19-9-7-6-8-10-19/h6-12,20H,13-14H2,1-5H3,(H,25,26,27)
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| InChIKey |
PVSGGRGRZXFBNS-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