General Information of the Compound
| Compound ID |
CP0528746
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| Compound Name |
O-[[(2R,3S,4R)-3,4-dihydroxy-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methyl] N-cyclopropylcarbamothioate
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| Structure |
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| Formula |
C18H24N6O5S
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| Molecular Weight |
436.494
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| Canonical SMILES |
O[C@@H]1[C@@H](COC(=S)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
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| InChI |
InChI=1S/C18H24N6O5S/c25-13-11(6-28-18(30)23-9-1-2-9)29-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-27-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,30)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1
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| InChIKey |
BXJRGEDAELQPHR-MQWPZHSDSA-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