General Information of the Compound
| Compound ID |
CP0543572
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| Compound Name |
1-[[4-chloro-2-[(2,2-dimethylpropylamino)methyl]phenyl]methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C19H23ClN4OS
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| Molecular Weight |
390.94
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| Canonical SMILES |
CC(C)(C)CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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| InChI |
InChI=1S/C19H23ClN4OS/c1-19(2,3)11-21-9-13-8-14(20)5-4-12(13)10-24-15-6-7-22-16(15)17(25)23-18(24)26/h4-8,21-22H,9-11H2,1-3H3,(H,23,25,26)
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| InChIKey |
LXBSZQFHHPQENT-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