General Information of the Compound
| Compound ID |
CP0856407
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| Compound Name |
(S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)-N-((5-cyclobutyl-1H-pyrazol-3-yl)methyl)butanamide
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| Structure |
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| Formula |
C22H31N9O4S
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| Molecular Weight |
517.616
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| Canonical SMILES |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cc(C3CCC3)[nH]n2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H31N9O4S/c23-13(21(34)25-7-12-6-14(30-29-12)11-2-1-3-11)4-5-36-8-15-17(32)18(33)22(35-15)31-10-28-16-19(24)26-9-27-20(16)31/h6,9-11,13,15,17-18,22,32-33H,1-5,7-8,23H2,(H,25,34)(H,29,30)(H2,24,26,27)/t13-,15+,17+,18+,22+/m0/s1
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| InChIKey |
YOYLKNZCYSUTTL-HMINOLKYSA-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