General Information of the Compound
| Compound ID |
CP0370999
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| Compound Name |
4-bromanyl-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one
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| Structure |
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| Formula |
C18H15BrClNO2
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| Molecular Weight |
392.68
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| Canonical SMILES |
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccccc2Cl)c1=O
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| InChI |
InChI=1S/C18H15BrClNO2/c1-2-21-16-9-8-13(19)11-14(18(16)23)17(22)10-7-12-5-3-4-6-15(12)20/h3-11H,2H2,1H3,(H,21,23)/b10-7+
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| InChIKey |
KQFRMXRIJMTJPE-JXMROGBWSA-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: PT06101, Latent membrane protein 1