General Information of the Compound
| Compound ID |
CP0553254
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| Compound Name |
N-[1-[[1-(8-aminooctylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C33H44N4O3S
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| Molecular Weight |
576.807
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| Canonical SMILES |
NCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C33H44N4O3S/c34-21-13-3-1-2-4-14-22-35-30(38)27(23-25-15-7-5-8-16-25)36-32(40)33(19-11-6-12-20-33)37-31(39)29-24-26-17-9-10-18-28(26)41-29/h5,7-10,15-18,24,27H,1-4,6,11-14,19-23,34H2,(H,35,38)(H,36,40)(H,37,39)
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| InChIKey |
DMTJPIHUQLTAJL-UHFFFAOYSA-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