General Information of the Compound
| Compound ID |
CP0970370
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| Compound Name |
(2S)-2-amino-6-[[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-5-yl]methylsulfanyl]hexanoic acid
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| Structure |
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| Formula |
C16H26N4O6S
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| Molecular Weight |
402.473
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| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSCCCC[C@H](N)C(=O)O
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| InChI |
InChI=1S/C16H26N4O6S/c17-10(15(23)24)3-1-2-4-27-8-9-6-20(16(25)19-14(9)18)13-5-11(22)12(7-21)26-13/h6,10-13,21-22H,1-5,7-8,17H2,(H,23,24)(H2,18,19,25)/t10-,11-,12+,13+/m0/s1
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| InChIKey |
MJTJWLGZCHZLJG-WUHRBBMRSA-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