General Information of the Compound
| Compound ID |
CP0339387
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| Compound Name |
N-[1-(2,5-dichloropyridin-4-yl)azetidin-3-yl]-1-methyltriazolo[4,5-h]quinazolin-6-amine
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| Structure |
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| Formula |
C17H14Cl2N8
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| Molecular Weight |
401.261
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| Canonical SMILES |
Cn1nnc2ccc3c(NC4CN(C4)c4cc(Cl)ncc4Cl)ncnc3c12
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| InChI |
InChI=1S/C17H14Cl2N8/c1-26-16-12(24-25-26)3-2-10-15(16)21-8-22-17(10)23-9-6-27(7-9)13-4-14(19)20-5-11(13)18/h2-5,8-9H,6-7H2,1H3,(H,21,22,23)
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| InChIKey |
FSAFIWUHPWCKBX-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