General Information of the Compound
| Compound ID |
CP0412207
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| Compound Name |
US9200001, 94
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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 |
COCc1ncnn1-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C20H21N7O/c1-12-23-16(9-18(24-12)27-19(10-28-3)21-11-22-27)13-8-14(13)20-25-15-6-4-5-7-17(15)26(20)2/h4-7,9,11,13-14H,8,10H2,1-3H3/t13-,14-/m1/s1
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| InChIKey |
ZWVFFJIFPLUQDG-ZIAGYGMSSA-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