General Information of the Compound
| Compound ID |
CP0533757
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| Compound Name |
CHEMBL4552812
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| Formula |
C19H21N7O2
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| Molecular Weight |
379.424
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| Canonical SMILES |
Cn1c2cnc(Nc3ccc4nccn4c3)nc2n([C@H]2CC[C@H](O)CC2)c1=O
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| InChI |
InChI=1S/C19H21N7O2/c1-24-15-10-21-18(22-12-2-7-16-20-8-9-25(16)11-12)23-17(15)26(19(24)28)13-3-5-14(27)6-4-13/h2,7-11,13-14,27H,3-6H2,1H3,(H,21,22,23)/t13-,14-
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| InChIKey |
RDGRJQXRHLYWCM-HDJSIYSDSA-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