General Information of the Compound
| Compound ID |
CP0967425
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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-(methoxymethyl)-1H-pyrazol-3-yl)methyl)butanamide
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| Structure |
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| Formula |
C20H29N9O5S
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| Molecular Weight |
507.577
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| Canonical SMILES |
COCc1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n[nH]1
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| InChI |
InChI=1S/C20H29N9O5S/c1-33-6-11-4-10(27-28-11)5-23-19(32)12(21)2-3-35-7-13-15(30)16(31)20(34-13)29-9-26-14-17(22)24-8-25-18(14)29/h4,8-9,12-13,15-16,20,30-31H,2-3,5-7,21H2,1H3,(H,23,32)(H,27,28)(H2,22,24,25)/t12-,13+,15+,16+,20+/m0/s1
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| InChIKey |
ZIPKVYXPDYEQMJ-WUMBASEESA-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