General Information of the Compound
| Compound ID |
CP0317515
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(4- methylpent-1-yn-1- yl)phenyl)-4-(3- fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)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 |
CC(C)CC#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/c1-17(2)4-3-5-20-15-21(9-10-23(20)31)28-22(12-19-8-11-27(24(32)13-19)42(33,39)40)26(14-18-6-7-18)36(35-28)30-34-25(16-41-30)29(37)38/h8-11,13,15-18H,4,6-7,12,14H2,1-2H3,(H,37,38)(H2,33,39,40)
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| InChIKey |
VMAFQMRMSWRWIM-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