General Information of the Compound
| Compound ID |
CP0006098
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| Compound Name |
1-[[7-[(2R,3R,4S,5R)-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-one
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| Structure |
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| Formula |
C20H20F2N4O5
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| Molecular Weight |
434.399
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| Canonical SMILES |
CC(=O)CNc1ncnc2n(ccc12)[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C20H20F2N4O5/c1-9(27)7-23-18-11-4-5-26(19(11)25-8-24-18)20-16(30)15(29)17(31-20)14(28)10-2-3-12(21)13(22)6-10/h2-6,8,14-17,20,28-30H,7H2,1H3,(H,23,24,25)/t14-,15+,16-,17-,20-/m1/s1
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| InChIKey |
WPJVJIWFDRRKJW-QRXRQMIZSA-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