General Information of the Compound
| Compound ID |
CP0574799
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| Compound Name |
(E)-1-[(2S,5S)-4-acetyl-2,5-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C34H36N2O10
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| Molecular Weight |
632.666
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| Canonical SMILES |
COc1cc(C[C@H]2CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN2C(C)=O)C(=O)\C=C\c2ccc(O)c(OC)c2)cc2OCOc12
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| InChI |
InChI=1S/C34H36N2O10/c1-20(37)35-16-25(10-23-13-29(42-4)34-31(15-23)44-19-46-34)36(32(39)8-6-21-5-7-26(38)27(11-21)40-2)17-24(35)9-22-12-28(41-3)33-30(14-22)43-18-45-33/h5-8,11-15,24-25,38H,9-10,16-19H2,1-4H3/b8-6+/t24-,25-/m0/s1
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| InChIKey |
MUFACOOFEYQKDY-CJZHKSBQSA-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