General Information of the Compound
| Compound ID |
CP0486898
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| Compound Name |
N-[4-[2-[3-chloro-4-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
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| Structure |
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| Formula |
C19H20ClN3O2S
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| Molecular Weight |
389.908
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| Canonical SMILES |
CC(NC(C)=O)C#Cc1cnc(Oc2ccc(NCC3CC3)c(Cl)c2)s1
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| InChI |
InChI=1S/C19H20ClN3O2S/c1-12(23-13(2)24)3-7-16-11-22-19(26-16)25-15-6-8-18(17(20)9-15)21-10-14-4-5-14/h6,8-9,11-12,14,21H,4-5,10H2,1-2H3,(H,23,24)
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| InChIKey |
FARBKEHOFCZKSX-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