General Information of the Compound
| Compound ID |
CP0553893
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| Compound Name |
US8680275, 112
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
Cc1cncc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C20H21N7O/c1-14-10-21-11-19(24-14)26-12-15-6-9-25(13-18(15)26)20(28)16-4-2-3-5-17(16)27-22-7-8-23-27/h2-5,7-8,10-11,15,18H,6,9,12-13H2,1H3/t15-,18-/m0/s1
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| InChIKey |
LQRWGYPSUWDZTR-YJBOKZPZSA-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