General Information of the Compound
| Compound ID |
CP0016233
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| Compound Name |
(2R)-2-[[6-[(4-phenylphenyl)methylamino]-9-propylpurin-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 |
CCCn1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C25H30N6O/c1-3-14-31-17-27-22-23(29-25(30-24(22)31)28-21(4-2)16-32)26-15-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,17,21,32H,3-4,14-16H2,1-2H3,(H2,26,28,29,30)/t21-/m1/s1
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| InChIKey |
PTPNINOMIJBPHY-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