General Information of the Compound
| Compound ID |
CP0448026
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| Compound Name |
(2S,4S)-1-Diphenylcarbamoyl-2-{2-[(2-methoxy-benzyl)-methyl-amino]-ethylcarbamoyl}-piperidine-4-carboxylic acid methyl ester
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| Structure |
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| Formula |
C32H38N4O5
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| Molecular Weight |
558.679
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| Canonical SMILES |
COC(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H38N4O5/c1-34(23-25-12-10-11-17-29(25)40-2)21-19-33-30(37)28-22-24(31(38)41-3)18-20-35(28)32(39)36(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h4-17,24,28H,18-23H2,1-3H3,(H,33,37)/t24-,28-/m0/s1
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| InChIKey |
FOLOWNIJLMHEPJ-CUBQBAPOSA-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