General Information of the Compound
| Compound ID |
CP0024076
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| Compound Name |
(2R)-2-[[6-(2-phenylethylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C20H28N6O
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| Molecular Weight |
368.485
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C(C)C)c2n1
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| InChI |
InChI=1S/C20H28N6O/c1-4-16(12-27)23-20-24-18(21-11-10-15-8-6-5-7-9-15)17-19(25-20)26(13-22-17)14(2)3/h5-9,13-14,16,27H,4,10-12H2,1-3H3,(H2,21,23,24,25)/t16-/m1/s1
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| InChIKey |
IZTUOVOTDRDXOG-MRXNPFEDSA-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