General Information of the Compound
| Compound ID |
CP0955610
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| Compound Name |
N4-Benzyloxy-(S)-methanocarba-cytidine-5'-alpha,beta-methylenediphosphate bis-triethylammonium salt
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| Structure |
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| Formula |
C31H55N5O10P2
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| Molecular Weight |
719.754
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1[nH]/c(=N\OCc2ccccc2)ccn1[C@]12C[C@H]1[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O
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| InChI |
InChI=1S/C19H25N3O10P2.2C6H15N/c23-16-13(10-32-34(29,30)11-33(26,27)28)14-8-19(14,17(16)24)22-7-6-15(20-18(22)25)21-31-9-12-4-2-1-3-5-12;2*1-4-7(5-2)6-3/h1-7,13-14,16-17,23-24H,8-11H2,(H,29,30)(H,20,21,25)(H2,26,27,28);2*4-6H2,1-3H3/t13-,14-,16+,17+,19+;;/m0../s1
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| InChIKey |
UPBHFSXTRLVWQA-JFBXFDRHSA-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