General Information of the Compound
| Compound ID |
CP0347539
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| Compound Name |
4-[(2S)-3-(3-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]-N-(2-phenylethyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C30H36N6O4S
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| Molecular Weight |
576.723
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C30H36N6O4S/c1-22-10-12-26(13-11-22)41(39,40)34-27(21-24-8-5-9-25(20-24)28(31)32)29(37)35-16-18-36(19-17-35)30(38)33-15-14-23-6-3-2-4-7-23/h2-13,20,27,34H,14-19,21H2,1H3,(H3,31,32)(H,33,38)/t27-/m0/s1
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| InChIKey |
KIHAJEXVFZMZHQ-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