General Information of the Compound
| Compound ID |
CP0911896
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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][[(1R,2S,3R,4R,5S)-1-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxy-4-bicyclo[3.1.0]hexanyl]methoxy-hydroxy-phosphoryl]hydrogen phosphate tris-triethylamine salt
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| Structure |
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| Formula |
C41H77N8O18P3
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| Molecular Weight |
1063.027
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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(n5ccc(=O)[nH]c5=O)C[C@@H]24)[C@@H](O)[C@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C23H32N5O18P3.3C6H15N/c1-42-26-14-2-4-27(20(34)24-14)22-6-12(22)10(16(30)18(22)32)8-43-47(36,37)45-49(40,41)46-48(38,39)44-9-11-13-7-23(13,19(33)17(11)31)28-5-3-15(29)25-21(28)35;3*1-4-7(5-2)6-3/h2-5,10-13,16-19,30-33H,6-9H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,24,26,34)(H,25,29,35);3*4-6H2,1-3H3/t10-,11-,12-,13-,16+,17+,18+,19+,22+,23+;;;/m0.../s1
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| InChIKey |
SDCOGAPDCVSZKX-JNKWMZLISA-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