General Information of the Compound
| Compound ID |
CP0152548
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| Compound Name |
2-[3-[2-[(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-5-fluoroindol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H20F4N4O2
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| Molecular Weight |
472.442
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| Canonical SMILES |
Cc1nnc(C2CC2)n1Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(F)cc12)C(F)(F)F
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| InChI |
InChI=1S/C24H20F4N4O2/c1-13-29-30-23(14-2-3-14)32(13)10-15-8-16(24(26,27)28)4-6-18(15)20-11-31(12-22(33)34)21-7-5-17(25)9-19(20)21/h4-9,11,14H,2-3,10,12H2,1H3,(H,33,34)
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| InChIKey |
BNFFSBRTQJTCHO-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