General Information of the Compound
| Compound ID |
CP0405943
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| Compound Name |
CHEMBL1916412
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| Formula |
C22H24N6O2
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| Molecular Weight |
404.474
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| Canonical SMILES |
Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N
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| InChI |
InChI=1S/C22H24N6O2/c1-13-14(11-23)7-8-16(26-13)30-19-21(2,3)18(22(19,4)5)27-17(29)15-12-25-20-24-9-6-10-28(15)20/h6-10,12,18-19H,1-5H3,(H,27,29)/t18-,19-
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| InChIKey |
NZLHNQPBBYMKKJ-WGSAOQKQSA-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