General Information of the Compound
| Compound ID |
CP0373766
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| Compound Name |
(S)-2-{[3-(2,4-Difluoro-benzenesulfonylamino)-thiophene-2-carbonyl]-amino}-5-guanidino-pentanoic acid
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| Structure |
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| Formula |
C17H19F2N5O5S2
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| Molecular Weight |
475.499
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1F)C(O)=O
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| InChI |
InChI=1S/C17H19F2N5O5S2/c18-9-3-4-13(10(19)8-9)31(28,29)24-11-5-7-30-14(11)15(25)23-12(16(26)27)2-1-6-22-17(20)21/h3-5,7-8,12,24H,1-2,6H2,(H,23,25)(H,26,27)(H4,20,21,22)/t12-/m0/s1
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| InChIKey |
OHKCMSAHLFSLJA-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