General Information of the Compound
| Compound ID |
CP0471182
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| Compound Name |
US8680275, 125
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| Structure |
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| Formula |
C21H22N6O
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| Molecular Weight |
374.448
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| Canonical SMILES |
Cc1cccc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C21H22N6O/c1-15-5-4-8-20(24-15)26-13-16-9-12-25(14-19(16)26)21(28)17-6-2-3-7-18(17)27-22-10-11-23-27/h2-8,10-11,16,19H,9,12-14H2,1H3/t16-,19-/m0/s1
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| InChIKey |
HOQLYDYVYPJRAF-LPHOPBHVSA-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