General Information of the Compound
| Compound ID |
CP0342362
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| Compound Name |
(6S)-2-amino-3,6-dimethyl-6-[5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one
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| Structure |
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| Formula |
C18H18N4OS
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| Molecular Weight |
338.436
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| Canonical SMILES |
CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1
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| InChI |
InChI=1S/C18H18N4OS/c1-4-5-12-8-13(11-20-10-12)14-6-7-15(24-14)18(2)9-16(23)22(3)17(19)21-18/h6-8,10-11H,9H2,1-3H3,(H2,19,21)/t18-/m0/s1
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| InChIKey |
UGDBWUJFNMDDPJ-SFHVURJKSA-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