General Information of the Compound
| Compound ID |
CP0556265
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-(4-fluoro-3-hex-1-ynylphenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C30H28F2N4O4S2
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| Molecular Weight |
610.708
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| Canonical SMILES |
CCCCC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C30H28F2N4O4S2/c1-2-3-4-5-6-20-16-21(10-11-23(20)31)28-22(13-19-9-12-27(24(32)14-19)42(33,39)40)26(15-18-7-8-18)36(35-28)30-34-25(17-41-30)29(37)38/h9-12,14,16-18H,2-4,7-8,13,15H2,1H3,(H,37,38)(H2,33,39,40)
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| InChIKey |
KCQRMZVWKDOQFN-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: PT02629, L-lactate dehydrogenase A chain