General Information of the Compound
| Compound ID |
CP0571943
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| Compound Name |
1-[(2S,5S)-4-benzoyl-2,5-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C31H32N2O8
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| Molecular Weight |
560.603
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| Canonical SMILES |
COc1cc(C[C@H]2CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN2C(C)=O)C(=O)c2ccccc2)cc2OCOc12
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| InChI |
InChI=1S/C31H32N2O8/c1-19(34)32-15-24(10-21-12-26(37-3)30-28(14-21)39-18-41-30)33(31(35)22-7-5-4-6-8-22)16-23(32)9-20-11-25(36-2)29-27(13-20)38-17-40-29/h4-8,11-14,23-24H,9-10,15-18H2,1-3H3/t23-,24-/m0/s1
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| InChIKey |
WGLUNTQUGKWTGZ-ZEQRLZLVSA-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