General Information of the Compound
| Compound ID |
CP0055901
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| Compound Name |
3-[2-Oxo-3-(S)-(5-pyridin-4-ylthiophene-2-ylsulfonylamino)-pyrrolidin-1-ylmethyl]benzamidine
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| Structure |
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| Formula |
C21H21N5O3S2
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| Molecular Weight |
455.565
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| Canonical SMILES |
NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccncc3)C2=O)c1
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| InChI |
InChI=1S/C21H21N5O3S2/c22-20(23)16-3-1-2-14(12-16)13-26-11-8-17(21(26)27)25-31(28,29)19-5-4-18(30-19)15-6-9-24-10-7-15/h1-7,9-10,12,17,25H,8,11,13H2,(H3,22,23)/t17-/m0/s1
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| InChIKey |
UOAUNXSBPSBSQS-KRWDZBQOSA-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