General Information of the Compound
| Compound ID |
CP0464418
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-diethylamino-ethyl)-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C35H54N6O3
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| Molecular Weight |
606.856
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(CC)CC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H54N6O3/c1-5-9-17-24-38(25-18-10-6-2)34(43)39-27-28-40(32(29-39)33(42)36-23-26-37(7-3)8-4)35(44)41(30-19-13-11-14-20-30)31-21-15-12-16-22-31/h11-16,19-22,32H,5-10,17-18,23-29H2,1-4H3,(H,36,42)/t32-/m0/s1
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| InChIKey |
CELTZHHYEWEYBB-YTTGMZPUSA-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