General Information of the Compound
| Compound ID |
CP0463573
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| Compound Name |
(S)-2-Hydroxymethyl-piperazine-1,4-dicarboxylic acid 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C29H42N4O3
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| Molecular Weight |
494.68
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@H](CO)C1)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H42N4O3/c1-3-5-13-19-30(20-14-6-4-2)28(35)31-21-22-32(27(23-31)24-34)29(36)33(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,27,34H,3-6,13-14,19-24H2,1-2H3/t27-/m0/s1
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| InChIKey |
VLRLIJPIWNCLSY-MHZLTWQESA-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