General Information of the Compound
| Compound ID |
CP0535030
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| Compound Name |
2-(7-benzylpyrrolo[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C15H13N3O2S
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| Molecular Weight |
299.355
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| Canonical SMILES |
OC(=O)CSc1ncnc2n(Cc3ccccc3)ccc12
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| InChI |
InChI=1S/C15H13N3O2S/c19-13(20)9-21-15-12-6-7-18(14(12)16-10-17-15)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
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| InChIKey |
RTURLJCOZHLJMR-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