General Information of the Compound
| Compound ID |
CP0461889
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| Compound Name |
N-[3-[(1Z)-1-(10-ethoxy-6H-benzo[c][1]benzoxepin-11-ylidene)propyl]phenyl]-N-ethylmethanesulfonamide
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| Structure |
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| Formula |
C28H31NO4S
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| Molecular Weight |
477.626
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| Canonical SMILES |
CCOc1cccc2COc3ccccc3\C(=C(/CC)c3cccc(c3)N(CC)S(C)(=O)=O)c12
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| InChI |
InChI=1S/C28H31NO4S/c1-5-23(20-12-10-14-22(18-20)29(6-2)34(4,30)31)28-24-15-8-9-16-25(24)33-19-21-13-11-17-26(27(21)28)32-7-3/h8-18H,5-7,19H2,1-4H3/b28-23-
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| InChIKey |
JLPKDDOHJYKBDN-NFFVHWSESA-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