General Information of the Compound
| Compound ID |
CP0951419
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| Compound Name |
5-Cyano-2-(2-cyclobutoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
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| Structure |
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| Formula |
C23H22N2O4
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| Molecular Weight |
390.439
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| Canonical SMILES |
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C#N)cc3C2)c1OC1CCC1
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| InChI |
InChI=1S/C23H22N2O4/c1-14-4-2-7-19(20(14)29-18-5-3-6-18)21(26)25-23(22(27)28)11-16-9-8-15(13-24)10-17(16)12-23/h2,4,7-10,18H,3,5-6,11-12H2,1H3,(H,25,26)(H,27,28)
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| InChIKey |
LFBYBZUQHTWBLI-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