General Information of the Compound
| Compound ID |
CP0575156
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| Compound Name |
2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylsulfanyl)acetic acid
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| Structure |
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| Formula |
C8H7N3O2S
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| Molecular Weight |
209.23
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| Canonical SMILES |
OC(=O)CSc1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C8H7N3O2S/c12-6(13)3-14-8-5-1-2-9-7(5)10-4-11-8/h1-2,4H,3H2,(H,12,13)(H,9,10,11)
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| InChIKey |
YRQMTKMJWXGZOE-UHFFFAOYSA-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