General Information of the Compound
| Compound ID |
CP0854039
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| Compound Name |
[[(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][[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]hydrogen phosphate tris-triethylamine salt
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| Structure |
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| Formula |
C39H75N8O19P3
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| Molecular Weight |
1052.988
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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]2O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C21H30N5O19P3.3C6H15N/c1-40-24-12-2-5-26(20(33)22-12)21-6-10(21)9(14(28)17(21)31)7-41-46(34,35)44-48(38,39)45-47(36,37)42-8-11-15(29)16(30)18(43-11)25-4-3-13(27)23-19(25)32;3*1-4-7(5-2)6-3/h2-5,9-11,14-18,28-31H,6-8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,22,24,33)(H,23,27,32);3*4-6H2,1-3H3/t9-,10-,11+,14+,15+,16+,17+,18+,21+;;;/m0.../s1
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| InChIKey |
ADIXHMDTWHRIAD-WLPZOIQBSA-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