General Information of the Compound
| Compound ID |
CP0849895
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| Compound Name |
1-(beta-D-2-Deoxyribofuranosyl)-4-hydroxyamino-5-iodopyrimidin-2(1H)-one 5'-monophosphate
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| Structure |
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| Formula |
C9H13IN3O8P
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| Molecular Weight |
449.094
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| Canonical SMILES |
O=c1nc(NO)c(I)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1
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| InChI |
InChI=1S/C9H13IN3O8P/c10-4-2-13(9(15)11-8(4)12-16)7-1-5(14)6(21-7)3-20-22(17,18)19/h2,5-7,14,16H,1,3H2,(H,11,12,15)(H2,17,18,19)/t5-,6+,7+/m0/s1
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| InChIKey |
PQKOSAZYYLHUND-RRKCRQDMSA-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