General Information of the Compound
| Compound ID |
CP0373767
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| Compound Name |
(S)-2-{[3-(Benzo[1,2,5]oxadiazole-4-sulfonylamino)-thiophene-2-carbonyl]-amino}-5-guanidino-pentanoic acid
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| Structure |
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| Formula |
C17H19N7O6S2
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| Molecular Weight |
481.516
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nonc12)C(O)=O
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| InChI |
InChI=1S/C17H19N7O6S2/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-31-14)24-32(28,29)12-5-1-3-9-13(12)23-30-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
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| InChIKey |
CMLDDMZTIAQFMW-NSHDSACASA-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