General Information of the Compound
| Compound ID |
CP0240379
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| Compound Name |
(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]-N-[2-[[(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoyl]amino]ethyl]prop-2-enamide
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| Formula |
C46H48N2O4
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| Molecular Weight |
692.9
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| Canonical SMILES |
Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C2CCCCC2)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C46H48N2O4/c49-41-25-21-39(22-26-41)45(35-7-3-1-4-8-35)37-17-11-33(12-18-37)15-29-43(51)47-31-32-48-44(52)30-16-34-13-19-38(20-14-34)46(36-9-5-2-6-10-36)40-23-27-42(50)28-24-40/h11-30,49-50H,1-10,31-32H2,(H,47,51)(H,48,52)/b29-15+,30-16+
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| InChIKey |
KIBKQTSPACQQBN-CMNXJCJSSA-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