General Information of the Compound
| Compound ID |
CP0382880
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| Compound Name |
(S)-2-{[3-(1,2-Dimethyl-1H-imidazole-4-sulfonylamino)-thiophene-2-carbonyl]-amino}-5-guanidino-pentanoic acid
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| Structure |
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| Formula |
C16H23N7O5S2
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| Molecular Weight |
457.538
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| Canonical SMILES |
Cc1nc(cn1C)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C16H23N7O5S2/c1-9-20-12(8-23(9)2)30(27,28)22-10-5-7-29-13(10)14(24)21-11(15(25)26)4-3-6-19-16(17)18/h5,7-8,11,22H,3-4,6H2,1-2H3,(H,21,24)(H,25,26)(H4,17,18,19)/t11-/m0/s1
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| InChIKey |
GRGNMCKJQJAXKY-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