General Information of the Compound
| Compound ID |
CP0577394
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| Compound Name |
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methylsulfanylbenzamide
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| Structure |
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| Formula |
C18H19N5O2S
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| Molecular Weight |
369.45
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| Canonical SMILES |
CCc1cc(=O)[nH]c(n1)-n1nc(C)cc1NC(=O)c1cccc(SC)c1
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| InChI |
InChI=1S/C18H19N5O2S/c1-4-13-10-16(24)21-18(19-13)23-15(8-11(2)22-23)20-17(25)12-6-5-7-14(9-12)26-3/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
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| InChIKey |
LWBNMHXGWKPIKB-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
Protein ID: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8