General Information of the Compound
| Compound ID |
CP0317700
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| Compound Name |
(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]-N-[4-[[(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoyl]amino]butyl]prop-2-enamide
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| Formula |
C48H52N2O4
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| Molecular Weight |
720.954
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| Canonical SMILES |
Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C2CCCCC2)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C48H52N2O4/c51-43-27-23-41(24-28-43)47(37-9-3-1-4-10-37)39-19-13-35(14-20-39)17-31-45(53)49-33-7-8-34-50-46(54)32-18-36-15-21-40(22-16-36)48(38-11-5-2-6-12-38)42-25-29-44(52)30-26-42/h13-32,51-52H,1-12,33-34H2,(H,49,53)(H,50,54)/b31-17+,32-18+
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| InChIKey |
BUSAXNKMKUFHQL-LTTYKRRRSA-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