General Information of the Compound
| Compound ID |
CP0438136
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| Compound Name |
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-(1,3,4-thiadiazol-2-yl)urea
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| Structure |
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| Formula |
C15H17N9O5S
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| Molecular Weight |
435.426
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
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| InChI |
InChI=1S/C15H17N9O5S/c1-2-16-12(27)9-7(25)8(26)13(29-9)24-4-19-6-10(17-3-18-11(6)24)21-14(28)22-15-23-20-5-30-15/h3-5,7-9,13,25-26H,2H2,1H3,(H,16,27)(H2,17,18,21,22,23,28)/t7-,8+,9-,13+/m0/s1
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| InChIKey |
LCTRURFFMNATKR-QRIDJOKKSA-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