General Information of the Compound
| Compound ID |
CP0428921
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| Compound Name |
(S)-2-{[3-(4-Acetylamino-benzenesulfonylamino)-thiophene-2-carbonyl]-amino}-5-guanidino-pentanoic acid
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| Structure |
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| Formula |
C19H24N6O6S2
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| Molecular Weight |
496.571
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C19H24N6O6S2/c1-11(26)23-12-4-6-13(7-5-12)33(30,31)25-14-8-10-32-16(14)17(27)24-15(18(28)29)3-2-9-22-19(20)21/h4-8,10,15,25H,2-3,9H2,1H3,(H,23,26)(H,24,27)(H,28,29)(H4,20,21,22)/t15-/m0/s1
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| InChIKey |
CAEDALIFKFXPIC-HNNXBMFYSA-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