General Information of the Compound
| Compound ID |
CP0240381
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| Compound Name |
(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-N-[5-[[(E)-3-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enoyl]amino]pentyl]prop-2-enamide
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| Formula |
C55H54N2O4
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| Molecular Weight |
807.047
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| Canonical SMILES |
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C55H54N2O4/c1-3-50(42-14-8-5-9-15-42)54(46-28-32-48(58)33-29-46)44-24-18-40(19-25-44)22-36-52(60)56-38-12-7-13-39-57-53(61)37-23-41-20-26-45(27-21-41)55(47-30-34-49(59)35-31-47)51(4-2)43-16-10-6-11-17-43/h5-6,8-11,14-37,58-59H,3-4,7,12-13,38-39H2,1-2H3,(H,56,60)(H,57,61)/b36-22+,37-23+,54-50-,55-51-
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| InChIKey |
MSGLUAHYMBWJRS-JZCPEALWSA-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