General Information of the Compound
| Compound ID |
CP0469451
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| Compound Name |
tert-butyl 4-[3-[(E)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C26H32N2O6
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| Molecular Weight |
468.55
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| Canonical SMILES |
COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCN(CC2)C(=O)OC(C)(C)C)c(OC)c1
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| InChI |
InChI=1S/C26H32N2O6/c1-26(2,3)34-25(31)28-13-11-27(12-14-28)19-8-6-7-18(15-19)9-10-21(29)24-22(30)16-20(32-4)17-23(24)33-5/h6-10,15-17,30H,11-14H2,1-5H3/b10-9+
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| InChIKey |
JWNYYLTWLQRQSN-MDZDMXLPSA-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