General Information of the Compound
| Compound ID |
CP0911021
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| Compound Name |
triethylamine hemi(((2R,3S,4R,5R)-3,4-dihydroxy-5-((Z)-4-(methoxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl diphosphate)
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| Formula |
C22H47N5O12P2
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| Molecular Weight |
635.589
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.CO/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C10H17N3O12P2.2C6H15N/c1-22-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(24-9)4-23-27(20,21)25-26(17,18)19;2*1-4-7(5-2)6-3/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,11,12,16)(H2,17,18,19);2*4-6H2,1-3H3/t5-,7-,8-,9-;;/m1../s1
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| InChIKey |
NTRUJZKWRNXPGR-BAZBJWKESA-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