General Information of the Compound
| Compound ID |
CP0108645
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| Compound Name |
1-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
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| Structure |
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| Formula |
C19H22N4O4S
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| Molecular Weight |
402.476
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| Canonical SMILES |
O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2
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| InChI |
InChI=1S/C19H22N4O4S/c24-19(21-11-14-2-1-9-20-10-14)22-15-3-7-18(8-4-15)28(25,26)23-12-16-5-6-17(13-23)27-16/h1-4,7-10,16-17H,5-6,11-13H2,(H2,21,22,24)
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| InChIKey |
CFPQKOXDIQRGKQ-UHFFFAOYSA-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