General Information of the Compound
| Compound ID |
CP0470354
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| Compound Name |
tert-butyl 4-[4-[(E)-3-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C31H40N2O6
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| Molecular Weight |
536.669
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| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c(O)c1CC=C(C)C
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| InChI |
InChI=1S/C31H40N2O6/c1-21(2)8-14-24-26(37-6)20-27(38-7)28(29(24)35)25(34)15-11-22-9-12-23(13-10-22)32-16-18-33(19-17-32)30(36)39-31(3,4)5/h8-13,15,20,35H,14,16-19H2,1-7H3/b15-11+
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| InChIKey |
CHMLIXYKNSMWJK-RVDMUPIBSA-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