General Information of the Compound
| Compound ID |
CP0557786
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(6-isothiocyanatohexylamino)purin-9-yl]oxolane-3,4-diol
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| Formula |
C17H24N6O4S
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| Molecular Weight |
408.484
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCN=C=S)ncnc12
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| InChI |
InChI=1S/C17H24N6O4S/c24-7-11-13(25)14(26)17(27-11)23-9-22-12-15(20-8-21-16(12)23)19-6-4-2-1-3-5-18-10-28/h8-9,11,13-14,17,24-26H,1-7H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
QOIVEYIXESKXFB-LSCFUAHRSA-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