General Information of the Compound
| Compound ID |
CP0469475
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| Compound Name |
(E)-3-[3-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]phenyl]-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C30H32N2O7
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| Molecular Weight |
532.593
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| Canonical SMILES |
COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1
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| InChI |
InChI=1S/C30H32N2O7/c1-36-23-18-25(34)29(28(19-23)39-4)24(33)10-8-20-6-5-7-22(16-20)31-12-14-32(15-13-31)30(35)21-9-11-26(37-2)27(17-21)38-3/h5-11,16-19,34H,12-15H2,1-4H3/b10-8+
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| InChIKey |
FNBUOQUSLRXLDX-CSKARUKUSA-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