General Information of the Compound
| Compound ID |
CP0404110
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| Compound Name |
1-[[6-(4-bromoanilino)-9-(oxan-2-yl)purin-2-yl]amino]propan-2-ol
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| Structure |
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| Formula |
C19H23BrN6O2
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| Molecular Weight |
447.337
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| Canonical SMILES |
CC(O)CNc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCCO3)c2n1
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| InChI |
InChI=1S/C19H23BrN6O2/c1-12(27)10-21-19-24-17(23-14-7-5-13(20)6-8-14)16-18(25-19)26(11-22-16)15-4-2-3-9-28-15/h5-8,11-12,15,27H,2-4,9-10H2,1H3,(H2,21,23,24,25)
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| InChIKey |
OKHJRHFBOMASNR-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