General Information of the Compound
| Compound ID |
CP0195644
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| Compound Name |
2-[4-[(4-amino-2-propan-2-ylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
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| Structure |
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| Formula |
C15H21N3OS
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| Molecular Weight |
291.42
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| Canonical SMILES |
CC(C)c1ncc(Cc2csc(CCO)c2C)c(N)n1
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| InChI |
InChI=1S/C15H21N3OS/c1-9(2)15-17-7-11(14(16)18-15)6-12-8-20-13(4-5-19)10(12)3/h7-9,19H,4-6H2,1-3H3,(H2,16,17,18)
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| InChIKey |
OOQRXXFASFGVQD-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