General Information of the Compound
| Compound ID |
CP0448815
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| Compound Name |
(2S,4S)-4-Dipentylcarbamoyl-1-diphenylcarbamoyl-piperidine-2-carboxylic acid
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| Structure |
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| Formula |
C30H41N3O4
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| Molecular Weight |
507.675
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H41N3O4/c1-3-5-13-20-31(21-14-6-4-2)28(34)24-19-22-32(27(23-24)29(35)36)30(37)33(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,24,27H,3-6,13-14,19-23H2,1-2H3,(H,35,36)/t24-,27-/m0/s1
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| InChIKey |
PUZLVFWWIPCNFL-IGKIAQTJSA-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