General Information of the Compound
| Compound ID |
CP0509137
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| Compound Name |
(1S,2R,3S,4R,5S)-2,3-dihydroxy-N-methyl-4-[6-methyl-2-(2-pyrazin-2-ylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C20H19N7O3
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| Molecular Weight |
405.418
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(C)nc(nc12)C#Cc1cnccn1
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| InChI |
InChI=1S/C20H19N7O3/c1-10-14-18(26-13(25-10)4-3-11-8-22-5-6-23-11)27(9-24-14)15-12-7-20(12,19(30)21-2)17(29)16(15)28/h5-6,8-9,12,15-17,28-29H,7H2,1-2H3,(H,21,30)/t12-,15-,16+,17+,20+/m1/s1
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| InChIKey |
WWBHAOZZYRETNS-OFXRGJROSA-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