General Information of the Compound
| Compound ID |
CP0258268
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-(pent-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 |
C29H26F2N4O4S2
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| Molecular Weight |
596.681
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| Canonical SMILES |
CCCC#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/C29H26F2N4O4S2/c1-2-3-4-5-19-15-20(9-10-22(19)30)27-21(12-18-8-11-26(23(31)13-18)41(32,38)39)25(14-17-6-7-17)35(34-27)29-33-24(16-40-29)28(36)37/h8-11,13,15-17H,2-3,6-7,12,14H2,1H3,(H,36,37)(H2,32,38,39)
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| InChIKey |
UQVZHAXDYLQVSK-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