General Information of the Compound
| Compound ID |
CP0475779
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-acetylamino-ethyl)-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C33H48N6O4
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| Molecular Weight |
592.785
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCNC(C)=O)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H48N6O4/c1-4-6-14-22-36(23-15-7-5-2)32(42)37-24-25-38(30(26-37)31(41)35-21-20-34-27(3)40)33(43)39(28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-13,16-19,30H,4-7,14-15,20-26H2,1-3H3,(H,34,40)(H,35,41)/t30-/m0/s1
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| InChIKey |
SIGYSNVKOFSFML-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