General Information of the Compound
| Compound ID |
CP0403579
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| Compound Name |
N-[(1S)-2-(6-aminohexylamino)-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]hexanamide
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| Structure |
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| Formula |
C27H39N3O3
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| Molecular Weight |
453.627
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCCCCCCN)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H39N3O3/c1-2-3-7-14-25(31)30-26(27(32)29-20-11-5-4-10-19-28)23-15-17-24(18-16-23)33-21-22-12-8-6-9-13-22/h6,8-9,12-13,15-18,26H,2-5,7,10-11,14,19-21,28H2,1H3,(H,29,32)(H,30,31)/t26-/m0/s1
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| InChIKey |
AZKMINFVLOZYMO-SANMLTNESA-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