General Information of the Compound
| Compound ID |
CP0484788
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| Compound Name |
[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]thiourea
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| Structure |
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| Formula |
C17H21N3OS
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| Molecular Weight |
315.442
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(N)=S)c1Cc1cccc(C)c1
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| InChI |
InChI=1S/C17H21N3OS/c1-4-13-11(3)19-16(21)15(20-17(18)22)14(13)9-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,19,21)(H3,18,20,22)
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| InChIKey |
PPBGWSQJARMISQ-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