General Information of the Compound
| Compound ID |
CP0003451
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| Compound Name |
(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-[4-(2,2-dimethoxyethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C21H25ClN4O6
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| Molecular Weight |
464.906
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| Canonical SMILES |
COC(CNc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O)OC
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| InChI |
InChI=1S/C21H25ClN4O6/c1-30-14(31-2)9-23-19-13-7-8-26(20(13)25-10-24-19)21-17(29)16(28)18(32-21)15(27)11-3-5-12(22)6-4-11/h3-8,10,14-18,21,27-29H,9H2,1-2H3,(H,23,24,25)/t15-,16+,17-,18-,21-/m1/s1
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| InChIKey |
SFXBSODSUAZMSY-NAIAOIPJSA-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