General Information of the Compound
| Compound ID |
CP0240378
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| Compound Name |
(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]-N-[3-[[(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoyl]amino]propyl]prop-2-enamide
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| Formula |
C47H50N2O4
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| Molecular Weight |
706.927
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| Canonical SMILES |
Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C2CCCCC2)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C47H50N2O4/c50-42-26-22-40(23-27-42)46(36-8-3-1-4-9-36)38-18-12-34(13-19-38)16-30-44(52)48-32-7-33-49-45(53)31-17-35-14-20-39(21-15-35)47(37-10-5-2-6-11-37)41-24-28-43(51)29-25-41/h12-31,50-51H,1-11,32-33H2,(H,48,52)(H,49,53)/b30-16+,31-17+
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| InChIKey |
RMFKJHOSIFDLKJ-RVSCTIAXSA-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