General Information of the Compound
| Compound ID |
CP0432300
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-{[2-(benzyl-methyl-amino)-ethyl]-methyl-amide} 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C40H56N6O3
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| Molecular Weight |
668.927
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)N(C)CCN(C)Cc1ccccc1)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C40H56N6O3/c1-5-7-18-26-43(27-19-8-6-2)39(48)44-30-31-45(40(49)46(35-22-14-10-15-23-35)36-24-16-11-17-25-36)37(33-44)38(47)42(4)29-28-41(3)32-34-20-12-9-13-21-34/h9-17,20-25,37H,5-8,18-19,26-33H2,1-4H3/t37-/m0/s1
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| InChIKey |
UVOURRFWHVVQKI-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