General Information of the Compound
| Compound ID |
CP0454309
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| Compound Name |
2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]-7,9-dihydropurin-8-one
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| Structure |
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| Formula |
C15H17N5O2S
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| Molecular Weight |
331.401
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C15H17N5O2S/c1-9(7-21)16-12-11-13(18-14(22)17-11)20-15(19-12)23-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20,22)/t9-/m1/s1
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| InChIKey |
RURRPCNSHIMRGD-SECBINFHSA-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