General Information of the Compound
| Compound ID |
CP0529867
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 4-dipentylamide 1-diphenylamide 2-({2-[(2-methoxy-benzyl)-methyl-amino]-ethyl}-methyl-amide)
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| Structure |
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| Formula |
C41H58N6O4
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| Molecular Weight |
698.953
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)N(C)CCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C41H58N6O4/c1-6-8-18-26-44(27-19-9-7-2)40(49)45-30-31-46(41(50)47(35-21-12-10-13-22-35)36-23-14-11-15-24-36)37(33-45)39(48)43(4)29-28-42(3)32-34-20-16-17-25-38(34)51-5/h10-17,20-25,37H,6-9,18-19,26-33H2,1-5H3/t37-/m0/s1
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| InChIKey |
IDVQINSMOIOUOV-QNGWXLTQSA-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