General Information of the Compound
| Compound ID |
CP0510614
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| Compound Name |
(S)-2-{[3-(2-Amino-benzenesulfonylamino)-thiophene-2-carbonyl]-amino}-5-guanidinopentanoic acid
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| Structure |
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| Formula |
C17H22N6O5S2
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| Molecular Weight |
454.534
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1ccccc1N)C(O)=O
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| InChI |
InChI=1S/C17H22N6O5S2/c18-10-4-1-2-6-13(10)30(27,28)23-11-7-9-29-14(11)15(24)22-12(16(25)26)5-3-8-21-17(19)20/h1-2,4,6-7,9,12,23H,3,5,8,18H2,(H,22,24)(H,25,26)(H4,19,20,21)/t12-/m0/s1
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| InChIKey |
YRDXVLQHXGUFAO-LBPRGKRZSA-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