General Information of the Compound
| Compound ID |
CP0130370
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| Compound Name |
(E)-N-(2-chloroethyl)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C22H24ClNO4
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| Molecular Weight |
401.89
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| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCl)cc1
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| InChI |
InChI=1S/C22H24ClNO4/c1-26-18-8-5-16(6-9-18)4-7-17-14-19(27-2)15-21(28-3)20(17)10-11-22(25)24-13-12-23/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)/b7-4+,11-10+
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| InChIKey |
SKQVPMRXOSQJMV-QPABKMLOSA-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