General Information of the Compound
| Compound ID |
CP0503848
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| Compound Name |
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxin-6-amine
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| Structure |
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| Formula |
C21H25NO2
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| Molecular Weight |
323.436
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\CNc2ccc3OCCOc3c2)cc1
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| InChI |
InChI=1S/C21H25NO2/c1-21(2,3)17-8-6-16(7-9-17)5-4-12-22-18-10-11-19-20(15-18)24-14-13-23-19/h4-11,15,22H,12-14H2,1-3H3/b5-4+
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| InChIKey |
NIHFZYNITGYTTO-SNAWJCMRSA-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