General Information of the Compound
| Compound ID |
CP0044338
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| Compound Name |
4-[(R)-3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sulfonylamino)-propionyl]-piperazine-1-carboxylic acid dimethylamide
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| Structure |
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| Formula |
C27H32N6O4S
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| Molecular Weight |
536.658
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| Canonical SMILES |
CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H32N6O4S/c1-31(2)27(35)33-14-12-32(13-15-33)26(34)24(17-19-6-5-9-22(16-19)25(28)29)30-38(36,37)23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24,30H,12-15,17H2,1-2H3,(H3,28,29)/t24-/m1/s1
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| InChIKey |
AMRRXWBRMUATPJ-XMMPIXPASA-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