General Information of the Compound
| Compound ID |
CP0536478
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| Compound Name |
US9586948, Example 23
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| Structure |
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| Formula |
C20H21N7O3
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| Molecular Weight |
407.434
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)N2CCOCC2)c(n1)C(N)=O
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| InChI |
InChI=1S/C20H21N7O3/c1-26-12-16(18(25-26)19(21)28)24-20(29)15-4-2-3-14(23-15)13-5-6-17(22-11-13)27-7-9-30-10-8-27/h2-6,11-12H,7-10H2,1H3,(H2,21,28)(H,24,29)
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| InChIKey |
PJUYBXGWLSIRCS-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