General Information of the Compound
| Compound ID |
CP0240382
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| Compound Name |
(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-[2-[[(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoyl]amino]ethyl]prop-2-enamide
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| Formula |
C52H48N2O4
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| Molecular Weight |
764.966
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| Canonical SMILES |
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C52H48N2O4/c1-3-47(39-11-7-5-8-12-39)51(43-25-29-45(55)30-26-43)41-21-15-37(16-22-41)19-33-49(57)53-35-36-54-50(58)34-20-38-17-23-42(24-18-38)52(44-27-31-46(56)32-28-44)48(4-2)40-13-9-6-10-14-40/h5-34,55-56H,3-4,35-36H2,1-2H3,(H,53,57)(H,54,58)/b33-19+,34-20+,51-47-,52-48-
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| InChIKey |
GZSBAXVVAPODNV-WDYVLNGVSA-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