General Information of the Compound
| Compound ID |
CP0429611
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| Compound Name |
(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methylsulfanyl]butanoic acid
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| Structure |
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| Formula |
C14H19N5O5S
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| Molecular Weight |
369.403
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| Canonical SMILES |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12)C(O)=O
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| InChI |
InChI=1S/C14H19N5O5S/c15-7(14(22)23)1-2-25-4-9-10(20)11(21)13(24-9)19-6-18-8-3-16-5-17-12(8)19/h3,5-7,9-11,13,20-21H,1-2,4,15H2,(H,22,23)/t7-,9+,10+,11+,13+/m0/s1
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| InChIKey |
PBQISZQQRZEGMN-ARYVQYHZSA-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