General Information of the Compound
| Compound ID |
CP0496546
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 4-dipentylamide 1-diphenylamide 2-{[2-(2-methoxy-benzylamino)-ethyl]-amide}
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| Structure |
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| Formula |
C39H54N6O4
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| Molecular Weight |
670.899
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCNCc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C39H54N6O4/c1-4-6-16-26-42(27-17-7-5-2)38(47)43-28-29-44(39(48)45(33-19-10-8-11-20-33)34-21-12-9-13-22-34)35(31-43)37(46)41-25-24-40-30-32-18-14-15-23-36(32)49-3/h8-15,18-23,35,40H,4-7,16-17,24-31H2,1-3H3,(H,41,46)/t35-/m0/s1
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| InChIKey |
UXCPRGUEANQDIA-DHUJRADRSA-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