General Information of the Compound
| Compound ID |
CP0493887
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| Compound Name |
CHEMBL2178382
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| Formula |
C19H22N4O2
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| Molecular Weight |
338.411
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| Canonical SMILES |
NC(=N)c1cncc(n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C19H22N4O2/c20-19(21)17-11-22-10-16(23-17)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-18(24)25/h5-8,10-13H,1-4,9H2,(H3,20,21)(H,24,25)/t12-,13-
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| InChIKey |
MILPMQNFJAVVSJ-JOCQHMNTSA-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