General Information of the Compound
| Compound ID |
CP0535828
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| Compound Name |
(2S,4S)-1-[(3-Chloro-phenyl)-phenyl-carbamoyl]-4-dipentylcarbamoyl-piperidine-2-carboxylic acid
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| Structure |
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| Formula |
C30H40ClN3O4
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| Molecular Weight |
542.12
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C30H40ClN3O4/c1-3-5-10-18-32(19-11-6-4-2)28(35)23-17-20-33(27(21-23)29(36)37)30(38)34(25-14-8-7-9-15-25)26-16-12-13-24(31)22-26/h7-9,12-16,22-23,27H,3-6,10-11,17-21H2,1-2H3,(H,36,37)/t23-,27-/m0/s1
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| InChIKey |
PLFQYVHLSBEAJT-HOFKKMOUSA-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