General Information of the Compound
| Compound ID |
CP0552075
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| Compound Name |
(1S,2R,3S,4R,5S)-2,3-dihydroxy-4-[6-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]-2-(2-methylpropoxy)purin-9-yl]-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C26H34N6O6
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| Molecular Weight |
526.594
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCC(C)C)nc12
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| InChI |
InChI=1S/C26H34N6O6/c1-13(2)11-38-25-30-22(28-8-7-14-5-6-17(37-4)16(33)9-14)18-23(31-25)32(12-29-18)19-15-10-26(15,24(36)27-3)21(35)20(19)34/h5-6,9,12-13,15,19-21,33-35H,7-8,10-11H2,1-4H3,(H,27,36)(H,28,30,31)/t15-,19-,20+,21+,26+/m1/s1
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| InChIKey |
WUWAIBYOOHQJEL-MRAWFPONSA-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