General Information of the Compound
| Compound ID |
CP0025048
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| Compound Name |
(2R)-2-[[6-[(5-methylthiophen-2-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C18H26N6OS
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| Molecular Weight |
374.514
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C(C)C)c2n1
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| InChI |
InChI=1S/C18H26N6OS/c1-5-13(9-25)21-18-22-16(19-8-14-7-6-12(4)26-14)15-17(23-18)24(10-20-15)11(2)3/h6-7,10-11,13,25H,5,8-9H2,1-4H3,(H2,19,21,22,23)/t13-/m1/s1
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| InChIKey |
ILDBRYFIDOZLPN-CYBMUJFWSA-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