General Information of the Compound
| Compound ID |
CP0468880
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| Compound Name |
CHEMBL4541968
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| Formula |
C21H22N6O
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| Molecular Weight |
374.448
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| Canonical SMILES |
Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1cn[nH]c1)-c1ccccc1
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| InChI |
InChI=1S/C21H22N6O/c1-14-17(16-12-22-23-13-16)21(28)27-20(24-14)19(26-10-6-3-7-11-26)18(25-27)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,24H,3,6-7,10-11H2,1H3,(H,22,23)
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| InChIKey |
OQPURSASCJWYEM-UHFFFAOYSA-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