General Information of the Compound
| Compound ID |
CP0487438
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| Compound Name |
2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-[3-[2-(5-methyl-1,3-thiazol-2-yl)ethynyl]phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C30H24FN5O4S3
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| Molecular Weight |
633.752
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| Canonical SMILES |
Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C30H24FN5O4S3/c1-17-15-33-27(42-17)10-8-18-3-2-4-21(11-18)28-22(12-20-7-9-26(23(31)13-20)43(32,39)40)25(14-19-5-6-19)36(35-28)30-34-24(16-41-30)29(37)38/h2-4,7,9,11,13,15-16,19H,5-6,12,14H2,1H3,(H,37,38)(H2,32,39,40)
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| InChIKey |
QJSFYKKAJNUZIG-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