General Information of the Compound
| Compound ID |
CP0951850
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| Compound Name |
2-(2-Isopropoxy-3-methyl-benzoylamino)-5-trifluoromethyl-indan-2-carboxylic acid
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| Structure |
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| Formula |
C22H22F3NO4
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| Molecular Weight |
421.415
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C(F)(F)F)cc3C2)c1OC(C)C
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| InChI |
InChI=1S/C22H22F3NO4/c1-12(2)30-18-13(3)5-4-6-17(18)19(27)26-21(20(28)29)10-14-7-8-16(22(23,24)25)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,26,27)(H,28,29)
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| InChIKey |
PMGMYYQMBLQSCM-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