General Information of the Compound
| Compound ID |
CP0546394
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| Compound Name |
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- phenoxyphenyl)-4-(4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid;
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| Structure |
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| Formula |
C30H25FN4O5S2
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| Molecular Weight |
604.685
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H25FN4O5S2/c31-24-13-10-20(16-27(24)40-21-4-2-1-3-5-21)28-23(14-18-8-11-22(12-9-18)42(32,38)39)26(15-19-6-7-19)35(34-28)30-33-25(17-41-30)29(36)37/h1-5,8-13,16-17,19H,6-7,14-15H2,(H,36,37)(H2,32,38,39)
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| InChIKey |
RNGNWQWOTNYIRL-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