General Information of the Compound
| Compound ID |
CP0954221
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| Compound Name |
4,7-Difluoro-2-[3-methyl-2-(2-methyl-propenyl)-benzoylamino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H21F2NO3
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| Molecular Weight |
385.41
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| Canonical SMILES |
CC(C)=Cc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2c(F)ccc(F)c2C1
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| InChI |
InChI=1S/C22H21F2NO3/c1-12(2)9-15-13(3)5-4-6-14(15)20(26)25-22(21(27)28)10-16-17(11-22)19(24)8-7-18(16)23/h4-9H,10-11H2,1-3H3,(H,25,26)(H,27,28)
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| InChIKey |
HPZLAWPJQMDYKV-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