General Information of the Compound
| Compound ID |
CP0577159
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| Compound Name |
3-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]-2-sulfanylidene-7H-purin-6-one
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| Structure |
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| Formula |
C16H19N5OS
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| Molecular Weight |
329.429
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| Canonical SMILES |
CC(C)NCc1ccccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S
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| InChI |
InChI=1S/C16H19N5OS/c1-10(2)17-7-11-5-3-4-6-12(11)8-21-14-13(18-9-19-14)15(22)20-16(21)23/h3-6,9-10,17H,7-8H2,1-2H3,(H,18,19)(H,20,22,23)
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| InChIKey |
CUBUGDAWEWYIEQ-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