General Information of the Compound
| Compound ID |
CP0526564
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| Compound Name |
CHEMBL2204056
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| Formula |
C21H24N4O2
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| Molecular Weight |
364.449
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| Canonical SMILES |
Cn1nccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C21H24N4O2/c1-25-17(11-12-22-25)13-18-19(23-21(27)24-20(18)26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,11-12,15-16H,7-10,13H2,1H3,(H2,23,24,26,27)/t15-,16+
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| InChIKey |
LGJYZUJRVPSIER-IYBDPMFKSA-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