General Information of the Compound
| Compound ID |
CP0558078
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| Compound Name |
US11046688, Example 98
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| Structure |
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| Formula |
C24H24N8O2
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| Molecular Weight |
456.51
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| Canonical SMILES |
COCCOc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C24H24N8O2/c1-31-14-18(12-27-31)16-4-5-20(21(10-16)34-9-8-33-3)29-24-26-11-17-6-7-25-22(23(17)30-24)19-13-28-32(2)15-19/h4-7,10-15H,8-9H2,1-3H3,(H,26,29,30)
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| InChIKey |
MWWNGJSHNMHXGM-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