General Information of the Compound
| Compound ID |
CP0024075
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| Compound Name |
(2R)-2-[[9-methyl-6-[(5-methylthiophen-2-yl)methylamino]purin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C16H22N6OS
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| Molecular Weight |
346.46
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C)c2n1
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| InChI |
InChI=1S/C16H22N6OS/c1-4-11(8-23)19-16-20-14(13-15(21-16)22(3)9-18-13)17-7-12-6-5-10(2)24-12/h5-6,9,11,23H,4,7-8H2,1-3H3,(H2,17,19,20,21)/t11-/m1/s1
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| InChIKey |
JCSMHYPJOXMPEO-LLVKDONJSA-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