General Information of the Compound
| Compound ID |
CP0379514
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| Compound Name |
2-[3-[2-[(4-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-(trifluoromethyl)phenyl]-5-fluoroindol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H18F4N2O3
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| Molecular Weight |
458.411
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| Canonical SMILES |
OC(=O)Cn1cc(-c2ccc(cc2Cc2ocnc2C2CC2)C(F)(F)F)c2cc(F)ccc12
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| InChI |
InChI=1S/C24H18F4N2O3/c25-16-4-6-20-18(9-16)19(10-30(20)11-22(31)32)17-5-3-15(24(26,27)28)7-14(17)8-21-23(13-1-2-13)29-12-33-21/h3-7,9-10,12-13H,1-2,8,11H2,(H,31,32)
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| InChIKey |
QVJZRUSZWHMACE-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