General Information of the Compound
Compound ID |
CP0423115
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Compound Name |
N-[(1S)-2-[6-(diaminomethylideneamino)hexylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]hexanamide
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Structure |
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Formula |
C28H41N5O3
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Molecular Weight |
495.668
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Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCCCCCCNC(N)=N)c1ccc(OCc2ccccc2)cc1
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InChI |
InChI=1S/C28H41N5O3/c1-2-3-7-14-25(34)33-26(27(35)31-19-10-4-5-11-20-32-28(29)30)23-15-17-24(18-16-23)36-21-22-12-8-6-9-13-22/h6,8-9,12-13,15-18,26H,2-5,7,10-11,14,19-21H2,1H3,(H,31,35)(H,33,34)(H4,29,30,32)/t26-/m0/s1
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InChIKey |
GCHTUEJQCNIQMH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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