General Information of the Compound
| Compound ID |
CP0851819
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| Compound Name |
(1'S,2'R,3'S,4'R,5'S)-2',3'-(Dihydroxy)-1'-(phosphonoethenyl)-4'-(uracil-1-yl)-bicyclo[3.1.0]hexane triethylammonium salt
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| Structure |
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| Formula |
C24H47N4O7P
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| Molecular Weight |
534.635
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| Canonical SMILES |
CCN(CC)CC.CCN(CC)CC.O=c1ccn([C@H]2[C@H](O)[C@H](O)[C@]3(CCP(=O)(O)O)C[C@H]23)c(=O)[nH]1
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| InChI |
InChI=1S/C12H17N2O7P.2C6H15N/c15-7-1-3-14(11(18)13-7)8-6-5-12(6,10(17)9(8)16)2-4-22(19,20)21;2*1-4-7(5-2)6-3/h1,3,6,8-10,16-17H,2,4-5H2,(H,13,15,18)(H2,19,20,21);2*4-6H2,1-3H3/t6-,8-,9+,10+,12-;;/m1../s1
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| InChIKey |
FDNCWJGHLRKAEI-KTDYEEOVSA-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