General Information of the Compound
| Compound ID |
CP0547081
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1H-indol-5-yl)acetamide
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| Structure |
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| Formula |
C19H18N2O3
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| Molecular Weight |
322.364
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| Canonical SMILES |
O=C(Cc1ccc2[nH]ccc2c1)NCC1COc2ccccc2O1
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| InChI |
InChI=1S/C19H18N2O3/c22-19(10-13-5-6-16-14(9-13)7-8-20-16)21-11-15-12-23-17-3-1-2-4-18(17)24-15/h1-9,15,20H,10-12H2,(H,21,22)
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| InChIKey |
LBBRBIHZXUHPAW-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