General Information of the Compound
| Compound ID |
CP0101006
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| Compound Name |
4-{(S)-3-[1-(Dibenzofuran-2-sulfonyl)-piperidin-4-ylamino]-2-hydroxy-propoxy}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C27H28N4O6S
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| Molecular Weight |
536.61
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| Canonical SMILES |
O[C@@H](CNC1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C27H28N4O6S/c32-18(16-36-25-7-3-5-22-26(25)30-27(33)29-22)15-28-17-10-12-31(13-11-17)38(34,35)19-8-9-24-21(14-19)20-4-1-2-6-23(20)37-24/h1-9,14,17-18,28,32H,10-13,15-16H2,(H2,29,30,33)/t18-/m0/s1
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| InChIKey |
ZIYSERSXJPYOHH-SFHVURJKSA-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