General Information of the Compound
| Compound ID |
CP0052965
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| Compound Name |
benzyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C29H33N5O5S
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| Molecular Weight |
563.68
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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)OCc1ccccc1
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| InChI |
InChI=1S/C29H33N5O5S/c1-21-10-12-25(13-11-21)40(37,38)32-26(19-23-8-5-9-24(18-23)27(30)31)28(35)33-14-16-34(17-15-33)29(36)39-20-22-6-3-2-4-7-22/h2-13,18,26,32H,14-17,19-20H2,1H3,(H3,30,31)/t26-/m0/s1
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| InChIKey |
PLHNGODJVSQPTC-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