General Information of the Compound
| Compound ID |
CP0523277
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-({2-[(3,5-dimethyl-benzyl)-methyl-amino]-ethyl}-methyl-amide) 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C42H60N6O3
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| Molecular Weight |
696.981
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)N(C)CCN(C)Cc1cc(C)cc(C)c1)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C42H60N6O3/c1-7-9-17-23-45(24-18-10-8-2)41(50)46-27-28-47(42(51)48(37-19-13-11-14-20-37)38-21-15-12-16-22-38)39(33-46)40(49)44(6)26-25-43(5)32-36-30-34(3)29-35(4)31-36/h11-16,19-22,29-31,39H,7-10,17-18,23-28,32-33H2,1-6H3/t39-/m0/s1
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| InChIKey |
QSSWXHSQMGICOW-KDXMTYKHSA-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