General Information of the Compound
| Compound ID |
CP0261450
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| Compound Name |
CHEMBL2386625
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| Formula |
C16H20N4O2
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| Molecular Weight |
300.362
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| Canonical SMILES |
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C16H20N4O2/c1-9(21)16-19-13-8-18-15-12(6-7-17-15)14(13)20(16)10-2-4-11(22)5-3-10/h6-11,21-22H,2-5H2,1H3,(H,17,18)/t9-,10-,11-/m1/s1
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| InChIKey |
CRCKNDMRYHWSFU-GMTAPVOTSA-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