General Information of the Compound
| Compound ID |
CP0562623
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| Compound Name |
1-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C15H15ClN4OS
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| Molecular Weight |
334.832
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| Canonical SMILES |
CNCc1ccc(Cl)cc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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| InChI |
InChI=1S/C15H15ClN4OS/c1-17-7-9-2-3-11(16)6-10(9)8-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,17-18H,7-8H2,1H3,(H,19,21,22)
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| InChIKey |
MPRADQCCKFPXEP-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