General Information of the Compound
| Compound ID |
CP0869675
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| Compound Name |
bis[[(1R,2S,3R,4R,5S)-2,3-dihydroxy-1-[(4Z)-4-methoxyimino-2-oxo-pyrimidin-1-yl]-4-bicyclo[3.1.0]hexanyl]methoxy-hydroxy-phosphoryl]hydrogen phosphate tris-triethylamine salt
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| Structure |
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| Formula |
C42H80N9O18P3
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| Molecular Weight |
1092.069
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CO/N=c1/ccn([C@]23C[C@H]2[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](O)[C@@H](O)[C@@]4(n5cc/c(=N/OC)[nH]c5=O)C[C@@H]24)[C@@H](O)[C@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C24H35N6O18P3.3C6H15N/c1-43-27-15-3-5-29(21(35)25-15)23-7-13(23)11(17(31)19(23)33)9-45-49(37,38)47-51(41,42)48-50(39,40)46-10-12-14-8-24(14,20(34)18(12)32)30-6-4-16(28-44-2)26-22(30)36;3*1-4-7(5-2)6-3/h3-6,11-14,17-20,31-34H,7-10H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H,25,27,35)(H,26,28,36);3*4-6H2,1-3H3/t11-,12-,13-,14-,17+,18+,19+,20+,23+,24+;;;/m0.../s1
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| InChIKey |
DBIYCJIMGXGFLN-SFOWLRDCSA-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