General Information of the Compound
| Compound ID |
CP0570873
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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-phenylprop-2-en-1-one
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| Structure |
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| Formula |
C33H34N2O8
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| Molecular Weight |
586.641
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| Canonical SMILES |
COc1cc(C[C@H]2CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN2C(C)=O)C(=O)\C=C\c2ccccc2)cc2OCOc12
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| InChI |
InChI=1S/C33H34N2O8/c1-21(36)34-17-26(12-24-14-28(39-3)33-30(16-24)41-20-43-33)35(31(37)10-9-22-7-5-4-6-8-22)18-25(34)11-23-13-27(38-2)32-29(15-23)40-19-42-32/h4-10,13-16,25-26H,11-12,17-20H2,1-3H3/b10-9+/t25-,26-/m0/s1
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| InChIKey |
NDRSITHOPMKCCO-MKRYHERSSA-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