General Information of the Compound
| Compound ID |
CP0007976
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| Compound Name |
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-N-cyclobutyl-1,3-benzothiazole-5-sulfonamide
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| Formula |
C20H23N3O3S2
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| Molecular Weight |
417.556
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| Canonical SMILES |
N[C@H]([C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc2scnc2c1)c1ccccc1
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| InChI |
InChI=1S/C20H23N3O3S2/c21-20(14-5-2-1-3-6-14)18(24)12-23(15-7-4-8-15)28(25,26)16-9-10-19-17(11-16)22-13-27-19/h1-3,5-6,9-11,13,15,18,20,24H,4,7-8,12,21H2/t18-,20-/m0/s1
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| InChIKey |
RCSDMZMTLQPVDG-ICSRJNTNSA-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