General Information of the Compound
| Compound ID |
CP0469679
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-[(Z)-2-(2-chlorophenyl)-2-hydroxyethenyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C29H23Cl2N5O4
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| Molecular Weight |
576.44
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| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(\C=C(/O)c3ccccc3Cl)nc(nc12)C#Cc1ccccc1Cl
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| InChI |
InChI=1S/C29H23Cl2N5O4/c1-32-28(40)29-13-17(29)24(25(38)26(29)39)36-14-33-23-20(12-21(37)16-7-3-5-9-19(16)31)34-22(35-27(23)36)11-10-15-6-2-4-8-18(15)30/h2-9,12,14,17,24-26,37-39H,13H2,1H3,(H,32,40)/b21-12-/t17-,24-,25+,26+,29+/m1/s1
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| InChIKey |
WOGDRZQTOWGUDU-RABDIBLPSA-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