General Information of the Compound
| Compound ID |
CP0951853
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| Compound Name |
2-[(2,3-Dihydro-benzo[1,4]dioxine-5-carbonyl)-amino]-indan-2-carboxylic acid
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| Structure |
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| Formula |
C19H17NO5
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| Molecular Weight |
339.347
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| Canonical SMILES |
O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1OCCO2
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| InChI |
InChI=1S/C19H17NO5/c21-17(14-6-3-7-15-16(14)25-9-8-24-15)20-19(18(22)23)10-12-4-1-2-5-13(12)11-19/h1-7H,8-11H2,(H,20,21)(H,22,23)
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| InChIKey |
ZPWOOTSLRYUKGC-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