General Information of the Compound
| Compound ID |
CP0846790
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| Compound Name |
(2R,3R,4S,5R)-1-(3-azido-5-(diphosphoryloxymethyl)-4-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione triethylammonium salt
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| Structure |
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| Formula |
C15H28N6O11P2
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| Molecular Weight |
530.368
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| Canonical SMILES |
CCN(CC)CC.[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C9H13N5O11P2.C6H15N/c10-13-12-6-7(16)4(3-23-27(21,22)25-26(18,19)20)24-8(6)14-2-1-5(15)11-9(14)17;1-4-7(5-2)6-3/h1-2,4,6-8,16H,3H2,(H,21,22)(H,11,15,17)(H2,18,19,20);4-6H2,1-3H3/t4-,6-,7-,8-;/m1./s1
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| InChIKey |
OFUFRQHIXGKNGF-IAIGYFSYSA-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