General Information of the Compound
| Compound ID |
CP0248255
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| Compound Name |
2-[1-[2-[(3-cyclopropyl-5-methyl-1,2,4-triazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-6-fluoroindol-3-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-n1cc(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)31(13)12-16-8-17(24(26,27)28)4-7-20(16)32-11-15(9-22(33)34)19-6-5-18(25)10-21(19)32/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,33,34)
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| InChIKey |
ZRSQLNNIMSXTJX-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