General Information of the Compound
| Compound ID |
CP0449311
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-{[2-(carbamoylmethyl-amino)-ethyl]-amide} 1-[(3-chloro-phenyl)-phenyl-amide] 4-dipentylamide
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| Structure |
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| Formula |
C34H49ClN6O4
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| Molecular Weight |
641.257
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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)c1cccc(Cl)c1
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| InChI |
InChI=1S/C34H49ClN6O4/c1-3-5-10-20-39(21-11-6-4-2)33(44)26-17-22-40(30(23-26)32(43)38-19-18-37-25-31(36)42)34(45)41(28-14-8-7-9-15-28)29-16-12-13-27(35)24-29/h7-9,12-16,24,26,30,37H,3-6,10-11,17-23,25H2,1-2H3,(H2,36,42)(H,38,43)/t26-,30-/m0/s1
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| InChIKey |
WNTHOKBCZNRPBB-YZNIXAGQSA-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