General Information of the Compound
| Compound ID |
CP0197534
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| Compound Name |
US11168095, Example 42
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| Structure |
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| Formula |
C23H23N7O2
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| Molecular Weight |
429.484
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| Canonical SMILES |
Cc1ncn(c1C)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3
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| InChI |
InChI=1S/C23H23N7O2/c1-15-16(2)30(13-24-15)17-8-9-20-18(12-17)23(31)27-21-7-5-6-19(26-21)22-28-25-14-29(22)10-3-4-11-32-20/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,26,27,31)
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| InChIKey |
VUDQEVYDOQKSDX-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