General Information of the Compound
| Compound ID |
CP0484925
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| Compound Name |
US8680275, 182
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| Structure |
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| Formula |
C20H22N8O
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| Molecular Weight |
390.451
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ncccc1-n1ccnn1
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| InChI |
InChI=1S/C20H22N8O/c1-13-10-14(2)24-20(23-13)27-11-15-5-8-26(12-17(15)27)19(29)18-16(4-3-6-21-18)28-9-7-22-25-28/h3-4,6-7,9-10,15,17H,5,8,11-12H2,1-2H3/t15-,17-/m0/s1
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| InChIKey |
CHLFYOFERFUEBH-RDJZCZTQSA-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