General Information of the Compound
| Compound ID |
CP0167484
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| Compound Name |
4-{(S)-3-[1-(Benzo[1,2,5]thiadiazole-4-sulfonyl)-piperidin-4-ylamino]-2-hydroxy-propoxy}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C21H24N6O5S2
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| Molecular Weight |
504.594
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| Canonical SMILES |
O[C@@H](CNC1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C21H24N6O5S2/c28-14(12-32-17-5-1-3-15-19(17)24-21(29)23-15)11-22-13-7-9-27(10-8-13)34(30,31)18-6-2-4-16-20(18)26-33-25-16/h1-6,13-14,22,28H,7-12H2,(H2,23,24,29)/t14-/m0/s1
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| InChIKey |
BQXXTJFRZLJTJP-AWEZNQCLSA-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