General Information of the Compound
| Compound ID |
CP0485684
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| Compound Name |
methyl N-[4-[2-[4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-yn-2-yl]carbamate
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| Structure |
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| Formula |
C19H20N2O4S
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| Molecular Weight |
372.446
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| Canonical SMILES |
COC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1
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| InChI |
InChI=1S/C19H20N2O4S/c1-13(21-18(22)23-2)3-10-17-11-20-19(26-17)25-16-8-6-15(7-9-16)24-12-14-4-5-14/h6-9,11,13-14H,4-5,12H2,1-2H3,(H,21,22)
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| InChIKey |
QJTZYPRUHLGJOA-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