General Information of the Compound
| Compound ID |
CP0087922
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| Compound Name |
CHEMBL2392486
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| Formula |
C14H16N6O2
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| Molecular Weight |
300.322
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| Canonical SMILES |
COC(=O)N[C@@H]1CC[C@H](C1)n1nnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C14H16N6O2/c1-22-14(21)17-8-2-3-9(6-8)20-12-10-4-5-15-13(10)16-7-11(12)18-19-20/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)(H,17,21)/t8-,9-/m1/s1
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| InChIKey |
MAOJWRIAIOAPKQ-RKDXNWHRSA-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