General Information of the Compound
| Compound ID |
CP0377125
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-chloro-6-[(Z)-2-hydroxy-2-phenylethenyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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| Structure |
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| Formula |
C21H20ClN5O4
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| Molecular Weight |
441.875
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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)c3ccccc3)nc(Cl)nc12
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| InChI |
InChI=1S/C21H20ClN5O4/c1-23-19(31)21-8-11(21)15(16(29)17(21)30)27-9-24-14-12(25-20(22)26-18(14)27)7-13(28)10-5-3-2-4-6-10/h2-7,9,11,15-17,28-30H,8H2,1H3,(H,23,31)/b13-7-/t11-,15-,16+,17+,21+/m1/s1
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| InChIKey |
FADAVYIREGXUIK-QIIPMINOSA-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