General Information of the Compound
| Compound ID |
CP0318230
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| Compound Name |
US9169260, 198
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| Structure |
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| Formula |
C21H23N9O
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| Molecular Weight |
417.477
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
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| InChI |
InChI=1S/C21H23N9O/c1-15-4-5-17(23-13-15)30-18(12-19(26-30)28-10-8-27(2)9-11-28)25-21(31)16-14-24-29-7-3-6-22-20(16)29/h3-7,12-14H,8-11H2,1-2H3,(H,25,31)
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| InChIKey |
CBGMVWLOYGVWSO-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
Protein ID: PT00821, Interleukin-1 receptor-associated kinase 4