General Information of the Compound
| Compound ID |
CP0443686
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| Compound Name |
US8993586, 33
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| Structure |
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| Formula |
C21H28N8O2
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| Molecular Weight |
424.509
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| Canonical SMILES |
CNC1=NC2C=C(C=NC2N1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
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| InChI |
InChI=1S/C21H28N8O2/c1-12(2)29-16-14(11-24-29)9-21(27-18(16)30)4-6-28(7-5-21)19(31)13-8-15-17(23-10-13)26-20(22-3)25-15/h8,10-12,15,17H,4-7,9H2,1-3H3,(H,27,30)(H2,22,25,26)
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| InChIKey |
ASZWVGPWPZIESF-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