General Information of the Compound
| Compound ID |
CP0016231
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| Compound Name |
(2R)-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C25H30N6O
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| Molecular Weight |
430.556
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1
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| InChI |
InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1
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| InChIKey |
BRJSFOFBYVFKCP-OAQYLSRUSA-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