General Information of the Compound
| Compound ID |
CP0217584
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| Compound Name |
CHEMBL2392498
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| Formula |
C13H16N6
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| Molecular Weight |
256.313
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C13H16N6/c14-8-1-3-9(4-2-8)19-12-10-5-6-15-13(10)16-7-11(12)17-18-19/h5-9H,1-4,14H2,(H,15,16)/t8-,9-
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| InChIKey |
BOSVNYKKFYBKJG-KYZUINATSA-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