General Information of the Compound
| Compound ID |
CP0520191
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-dimethylamino-ethyl)-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C33H50N6O3
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| Molecular Weight |
578.802
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(C)C)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H50N6O3/c1-5-7-15-22-36(23-16-8-6-2)32(41)37-25-26-38(30(27-37)31(40)34-21-24-35(3)4)33(42)39(28-17-11-9-12-18-28)29-19-13-10-14-20-29/h9-14,17-20,30H,5-8,15-16,21-27H2,1-4H3,(H,34,40)/t30-/m0/s1
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| InChIKey |
MZGOTFSCFZHBNK-PMERELPUSA-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