General Information of the Compound
| Compound ID |
CP0543701
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-(cyclopropylmethoxy)-6-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C26H32N6O6
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| Molecular Weight |
524.578
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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(OCC3CC3)nc12
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| InChI |
InChI=1S/C26H32N6O6/c1-27-24(36)26-10-15(26)19(20(34)21(26)35)32-12-29-18-22(30-25(31-23(18)32)38-11-14-3-4-14)28-8-7-13-5-6-17(37-2)16(33)9-13/h5-6,9,12,14-15,19-21,33-35H,3-4,7-8,10-11H2,1-2H3,(H,27,36)(H,28,30,31)/t15-,19-,20+,21+,26+/m1/s1
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| InChIKey |
MJPMZHWMGJXXMQ-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