General Information of the Compound
| Compound ID |
CP0264515
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| Compound Name |
(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-[4-[[(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoyl]amino]butyl]prop-2-enamide
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| Formula |
C54H52N2O4
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| Molecular Weight |
793.02
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| Canonical SMILES |
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C54H52N2O4/c1-3-49(41-13-7-5-8-14-41)53(45-27-31-47(57)32-28-45)43-23-17-39(18-24-43)21-35-51(59)55-37-11-12-38-56-52(60)36-22-40-19-25-44(26-20-40)54(46-29-33-48(58)34-30-46)50(4-2)42-15-9-6-10-16-42/h5-10,13-36,57-58H,3-4,11-12,37-38H2,1-2H3,(H,55,59)(H,56,60)/b35-21+,36-22+,53-49-,54-50-
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| InChIKey |
GIMBMCWWMCJLRR-XDEFTROLSA-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