General Information of the Compound
| Compound ID |
CP0396605
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| Compound Name |
7-N-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
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| Structure |
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| Formula |
C27H34N8O2
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| Molecular Weight |
502.623
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C27H34N8O2/c1-32(24-20-25-29-26(21-6-4-3-5-7-21)31-35(25)27(28)30-24)12-13-33-14-16-34(17-15-33)22-8-10-23(11-9-22)37-19-18-36-2/h3-11,20H,12-19H2,1-2H3,(H2,28,30)
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| InChIKey |
FSXLVZDXMKYYFE-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