General Information of the Compound
| Compound ID |
CP0363564
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| Compound Name |
(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-[3-[[(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoyl]amino]propyl]prop-2-enamide
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| Formula |
C53H50N2O4
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| Molecular Weight |
778.993
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| Canonical SMILES |
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C53H50N2O4/c1-3-48(40-12-7-5-8-13-40)52(44-26-30-46(56)31-27-44)42-22-16-38(17-23-42)20-34-50(58)54-36-11-37-55-51(59)35-21-39-18-24-43(25-19-39)53(45-28-32-47(57)33-29-45)49(4-2)41-14-9-6-10-15-41/h5-10,12-35,56-57H,3-4,11,36-37H2,1-2H3,(H,54,58)(H,55,59)/b34-20+,35-21+,52-48-,53-49-
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| InChIKey |
CPTPWWMCXPPHMS-WRUYHXIOSA-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