General Information of the Compound
| Compound ID |
CP0540335
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-{[2-(carbamoylmethyl-amino)-ethyl]-amide} 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C34H50N6O4
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| Molecular Weight |
606.812
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCNCC(N)=O)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H50N6O4/c1-3-5-13-22-38(23-14-6-4-2)33(43)27-19-24-39(30(25-27)32(42)37-21-20-36-26-31(35)41)34(44)40(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-12,15-18,27,30,36H,3-6,13-14,19-26H2,1-2H3,(H2,35,41)(H,37,42)/t27-,30-/m0/s1
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| InChIKey |
OIUDTQFPVHQGHZ-FIBWVYCGSA-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