General Information of the Compound
| Compound ID |
CP0953000
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| Compound Name |
(R)-5-fluoro-2-(2-isobutyl-3-methylbenzamido)-2,3-dihydro-1H-indene-2-carboxylic acid
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| Structure |
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| Formula |
C22H24FNO3
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| Molecular Weight |
369.436
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| Canonical SMILES |
Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(F)cc3C2)c1CC(C)C
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| InChI |
InChI=1S/C22H24FNO3/c1-13(2)9-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)11-15-7-8-17(23)10-16(15)12-22/h4-8,10,13H,9,11-12H2,1-3H3,(H,24,25)(H,26,27)/t22-/m1/s1
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| InChIKey |
MSOVLVYBZYSIEE-JOCHJYFZSA-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