General Information of the Compound
| Compound ID |
CP0336716
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| Compound Name |
2-[4-[(4-amino-2-phenylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
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| Structure |
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| Formula |
C18H19N3OS
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| Molecular Weight |
325.437
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| Canonical SMILES |
Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO
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| InChI |
InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)
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| InChIKey |
REJYOGBVJYBRLX-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