General Information of the Compound
| Compound ID |
CP0573142
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-dimethylamino-ethyl)-methyl-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C34H52N6O3
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| Molecular Weight |
592.829
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)N(C)CCN(C)C)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H52N6O3/c1-6-8-16-22-37(23-17-9-7-2)33(42)38-26-27-39(31(28-38)32(41)36(5)25-24-35(3)4)34(43)40(29-18-12-10-13-19-29)30-20-14-11-15-21-30/h10-15,18-21,31H,6-9,16-17,22-28H2,1-5H3/t31-/m0/s1
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| InChIKey |
QBEMOEIRUZZYTR-HKBQPEDESA-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