General Information of the Compound
| Compound ID |
CP0512363
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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-ethylcarbamothioate
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| Structure |
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| Formula |
C17H24N6O5S
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| Molecular Weight |
424.483
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| Canonical SMILES |
CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
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| InChI |
InChI=1S/C17H24N6O5S/c1-2-18-17(29)27-6-10-12(24)13(25)16(28-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-26-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,29)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1
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| InChIKey |
JDSLZZDHOWLABO-LFLXKQNJSA-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