General Information of the Compound
| Compound ID |
CP0574154
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| Compound Name |
2-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
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| Structure |
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| Formula |
C8H6ClN3O2S
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| Molecular Weight |
243.675
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| Canonical SMILES |
OC(=O)CSc1ncnc2[nH]cc(Cl)c12
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| InChI |
InChI=1S/C8H6ClN3O2S/c9-4-1-10-7-6(4)8(12-3-11-7)15-2-5(13)14/h1,3H,2H2,(H,13,14)(H,10,11,12)
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| InChIKey |
UCFHRAAGQOWJKM-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