General Information of the Compound
| Compound ID |
CP0433520
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| Compound Name |
1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-prop-2-ynylamine
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| Structure |
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| Formula |
C19H16N2O2S
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| Molecular Weight |
336.416
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| Canonical SMILES |
CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
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| InChI |
InChI=1S/C19H16N2O2S/c1-14(20)7-12-18-13-21-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14H,20H2,1H3
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| InChIKey |
XVFLFMHZTBIKTC-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