General Information of the Compound
| Compound ID |
CP0494649
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| Compound Name |
3-(5-amino-7-((2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile
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| Structure |
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| Formula |
C28H33N9O2
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| Molecular Weight |
527.633
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C28H33N9O2/c1-34(10-11-35-12-14-36(15-13-35)23-6-8-24(9-7-23)39-17-16-38-2)25-19-26-31-27(33-37(26)28(30)32-25)22-5-3-4-21(18-22)20-29/h3-9,18-19H,10-17H2,1-2H3,(H2,30,32)
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| InChIKey |
CALAGWXXGJLXKE-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