General Information of the Compound
| Compound ID |
CP0331803
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| Compound Name |
2-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]ethanamide
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| Structure |
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| Formula |
C19H18ClNO3
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| Molecular Weight |
343.81
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| Canonical SMILES |
ClCC(=O)N(C\C=C\c1ccccc1)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C19H18ClNO3/c20-14-19(22)21(10-4-7-15-5-2-1-3-6-15)16-8-9-17-18(13-16)24-12-11-23-17/h1-9,13H,10-12,14H2/b7-4+
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| InChIKey |
WCNGHJWXHCWDNG-QPJJXVBHSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2