General Information of the Compound
| Compound ID |
CP0403426
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| Compound Name |
(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-(methylamino)-2-(4-phenyltriazol-1-yl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C22H23N9O3
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| Molecular Weight |
461.486
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccc1
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| InChI |
InChI=1S/C22H23N9O3/c1-23-18-14-19(27-21(26-18)31-9-13(28-29-31)11-6-4-3-5-7-11)30(10-25-14)15-12-8-22(12,20(34)24-2)17(33)16(15)32/h3-7,9-10,12,15-17,32-33H,8H2,1-2H3,(H,24,34)(H,23,26,27)/t12-,15-,16+,17+,22+/m1/s1
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| InChIKey |
UMSIUKJTKPZJHN-DHTGQPOCSA-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