General Information of the Compound
| Compound ID |
CP0562276
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| Compound Name |
(E)-3-[3,5-dimethyl-4-(3-morpholin-4-ylpropoxy)phenyl]-1-(4-methylsulfanylphenyl)prop-2-en-1-one
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| Formula |
C25H31NO3S
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| Molecular Weight |
425.594
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OCCCN2CCOCC2)c(C)c1
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| InChI |
InChI=1S/C25H31NO3S/c1-19-17-21(5-10-24(27)22-6-8-23(30-3)9-7-22)18-20(2)25(19)29-14-4-11-26-12-15-28-16-13-26/h5-10,17-18H,4,11-16H2,1-3H3/b10-5+
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| InChIKey |
KQAWGRKSGAMKJO-BJMVGYQFSA-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