General Information of the Compound
| Compound ID |
CP0487550
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| Compound Name |
2-[(2R,3R,4S)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]-N-methylacetamide
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| Structure |
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| Formula |
C19H21IN6O4
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| Molecular Weight |
524.319
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| Canonical SMILES |
CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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| InChI |
InChI=1S/C19H21IN6O4/c1-21-13(27)6-12-15(28)16(29)19(30-12)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,15-16,19,28-29H,6-7H2,1H3,(H,21,27)(H,22,23,24)/t12-,15+,16+,19?/m1/s1
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| InChIKey |
SCMZRPGHDUTPBP-HWQOSGRBSA-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