General Information of the Compound
| Compound ID |
CP0950993
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| Compound Name |
2-[(6-Fluoro-4H-benzo[1,3]dioxine-8-carbonyl)-amino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C19H16FNO5
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| Molecular Weight |
357.337
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| Canonical SMILES |
O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)cc2c1OCOC2
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| InChI |
InChI=1S/C19H16FNO5/c20-14-5-13-9-25-10-26-16(13)15(6-14)17(22)21-19(18(23)24)7-11-3-1-2-4-12(11)8-19/h1-6H,7-10H2,(H,21,22)(H,23,24)
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| InChIKey |
ZJZLMAIBXQTSLO-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