General Information of the Compound
| Compound ID |
CP0409684
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| Compound Name |
N-[4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]propanamide
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| Structure |
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| Formula |
C19H22N2O3S
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| Molecular Weight |
358.463
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| Canonical SMILES |
CCC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
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| InChI |
InChI=1S/C19H22N2O3S/c1-5-18(22)21-14(4)6-11-17-12-20-19(25-17)24-16-9-7-15(8-10-16)23-13(2)3/h7-10,12-14H,5H2,1-4H3,(H,21,22)
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| InChIKey |
JPPBSAHIVQVDQN-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: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2