General Information of the Compound
| Compound ID |
CP0268213
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| Compound Name |
US8664236, A11
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| Structure |
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| Formula |
C22H20N8
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| Molecular Weight |
396.458
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| Canonical SMILES |
CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H20N8/c1-29-13-15(11-26-29)14-8-17-18(12-25-21(17)24-10-14)19-9-20(28-22(23)27-19)30(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)(H2,23,27,28)
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| InChIKey |
SDXSOZQUISXZFG-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