General Information of the Compound
| Compound ID |
CP0030459
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| Compound Name |
(2R)-2-[[9-methyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C23H26N6O
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| Molecular Weight |
402.502
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C23H26N6O/c1-3-19(14-30)26-23-27-21(20-22(28-23)29(2)15-25-20)24-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,30H,3,13-14H2,1-2H3,(H2,24,26,27,28)/t19-/m1/s1
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| InChIKey |
HJIKHQHEYOSXTJ-LJQANCHMSA-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