General Information of the Compound
| Compound ID |
CP0404772
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| Compound Name |
6-Furan-2-yl-9-(4-isopropyl-benzyl)-9H-purin-2-ylamine
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| Structure |
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
CC(C)c1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1
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| InChI |
InChI=1S/C19H19N5O/c1-12(2)14-7-5-13(6-8-14)10-24-11-21-17-16(15-4-3-9-25-15)22-19(20)23-18(17)24/h3-9,11-12H,10H2,1-2H3,(H2,20,22,23)
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| InChIKey |
HDTZXVISASWKGX-UHFFFAOYSA-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