General Information of the Compound
| Compound ID |
CP0901963
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| Compound Name |
Diphosphoric Acid 1-beta-Methyl Ester 2-(4-Thiouridine-5'-yl)-ester,bis-Triethylammonium salt
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| Structure |
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| Formula |
C16H31N3O11P2S
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| Molecular Weight |
535.449
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| Canonical SMILES |
CCN(CC)CC.COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C10H16N2O11P2S.C6H15N/c1-20-24(16,17)23-25(18,19)21-4-5-7(13)8(14)9(22-5)12-3-2-6(26)11-10(12)15;1-4-7(5-2)6-3/h2-3,5,7-9,13-14H,4H2,1H3,(H,16,17)(H,18,19)(H,11,15,26);4-6H2,1-3H3/t5-,7-,8-,9-;/m1./s1
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| InChIKey |
BHTKNPGMRZRQDW-BKZSBQMKSA-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