General Information of the Compound
| Compound ID |
CP0385325
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| Compound Name |
(2S)-2-amino-3-[2,4-dioxo-3-[(2-phosphonothiophen-3-yl)methyl]thieno[3,4-d]pyrimidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C14H14N3O7PS2
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| Molecular Weight |
431.388
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| Canonical SMILES |
N[C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2P(O)(O)=O)c1=O)C(O)=O
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| InChI |
InChI=1S/C14H14N3O7PS2/c15-9(12(19)20)4-16-10-6-26-5-8(10)11(18)17(14(16)21)3-7-1-2-27-13(7)25(22,23)24/h1-2,5-6,9H,3-4,15H2,(H,19,20)(H2,22,23,24)/t9-/m0/s1
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| InChIKey |
JUVRVJPSHJZNDD-VIFPVBQESA-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