General Information of the Compound
| Compound ID |
CP0107727
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| Compound Name |
CHEMBL2386628
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| Formula |
C17H22N4O2
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| Molecular Weight |
314.389
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| Canonical SMILES |
CO[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)[C@@H](C)O
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| InChI |
InChI=1S/C17H22N4O2/c1-10(22)17-20-14-9-19-16-13(7-8-18-16)15(14)21(17)11-3-5-12(23-2)6-4-11/h7-12,22H,3-6H2,1-2H3,(H,18,19)/t10-,11-,12-/m1/s1
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| InChIKey |
XWRWZQJAOJYIJU-IJLUTSLNSA-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