General Information of the Compound
| Compound ID |
CP0471647
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| Compound Name |
(E)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-chlorophenyl)prop-2-enamide
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| Structure |
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| Formula |
C18H16ClNO3
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| Molecular Weight |
329.783
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| Canonical SMILES |
C[C@H](NC(=O)\C=C\c1ccccc1Cl)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C18H16ClNO3/c1-12(14-6-8-16-17(10-14)23-11-22-16)20-18(21)9-7-13-4-2-3-5-15(13)19/h2-10,12H,11H2,1H3,(H,20,21)/b9-7+/t12-/m0/s1
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| InChIKey |
FVULDXTVYUQILH-CRALRDPISA-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