General Information of the Compound
| Compound ID |
CP0486906
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| Compound Name |
[(1R,2R)-2-[[2-chloro-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]cyclopentyl] dimethyl phosphate
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| Structure |
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| Formula |
C17H25ClN5O8P
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| Molecular Weight |
493.841
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| Canonical SMILES |
COP(=O)(OC)O[C@@H]1CCC[C@H]1Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C17H25ClN5O8P/c1-28-32(27,29-2)31-9-5-3-4-8(9)20-14-11-15(22-17(18)21-14)23(7-19-11)16-13(26)12(25)10(6-24)30-16/h7-10,12-13,16,24-26H,3-6H2,1-2H3,(H,20,21,22)/t8-,9-,10-,12-,13-,16-/m1/s1
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| InChIKey |
FDUIENWUDICKHK-XULTWRPTSA-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