General Information of the Compound
| Compound ID |
CP0302088
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| Compound Name |
[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-3-hydroxyphenyl] N,N-diethylcarbamate
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| Structure |
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| Formula |
C22H26N2O4
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| Molecular Weight |
382.46
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| Canonical SMILES |
CCN(CC)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
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| InChI |
InChI=1S/C22H26N2O4/c1-5-24(6-2)22(27)28-18-12-13-19(21(26)15-18)20(25)14-9-16-7-10-17(11-8-16)23(3)4/h7-15,26H,5-6H2,1-4H3/b14-9+
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| InChIKey |
YKEKEEWUAKLXGN-NTEUORMPSA-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