General Information of the Compound
| Compound ID |
CP0577117
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,1,3-benzoxadiazol-4-yl]sulfonyl]urea
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| Structure |
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| Formula |
C25H27N5O5S
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| Molecular Weight |
509.588
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| Canonical SMILES |
O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)c1ccc(N2CC3CCC(C2)O3)c2nonc12
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| InChI |
InChI=1S/C25H27N5O5S/c31-25(26-22-18-5-1-3-14(18)11-15-4-2-6-19(15)22)29-36(32,33)21-10-9-20(23-24(21)28-35-27-23)30-12-16-7-8-17(13-30)34-16/h9-11,16-17H,1-8,12-13H2,(H2,26,29,31)
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| InChIKey |
CSZDYBUVOMWPBK-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