General Information of the Compound
| Compound ID |
CP0853984
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| Compound Name |
N4-Methoxy-(S)-methanocarba-cytidine-5'-alpha,beta-methylenediphosphate bis-triethylammonium salt
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| Structure |
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| Formula |
C25H51N5O10P2
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| Molecular Weight |
643.656
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.CO/N=c1/ccn([C@]23C[C@H]2[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1
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| InChI |
InChI=1S/C13H21N3O10P2.2C6H15N/c1-25-15-9-2-3-16(12(19)14-9)13-4-8(13)7(10(17)11(13)18)5-26-28(23,24)6-27(20,21)22;2*1-4-7(5-2)6-3/h2-3,7-8,10-11,17-18H,4-6H2,1H3,(H,23,24)(H,14,15,19)(H2,20,21,22);2*4-6H2,1-3H3/t7-,8-,10+,11+,13+;;/m0../s1
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| InChIKey |
RGXSIHOPPNCWRM-YYDIQOBISA-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