General Information of the Compound
| Compound ID |
CP0864377
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| Compound Name |
N-(2-{7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]-non-3-yl}ethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
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| Structure |
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| Formula |
C26H32N4O5S
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| Molecular Weight |
512.632
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| Canonical SMILES |
CN(CCN1CC2CN(CCOc3ccc(C#N)cc3)CC(C1)O2)S(=O)(=O)c1ccc2c(c1)CCO2
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| InChI |
InChI=1S/C26H32N4O5S/c1-28(36(31,32)25-6-7-26-21(14-25)8-12-34-26)9-10-29-16-23-18-30(19-24(17-29)35-23)11-13-33-22-4-2-20(15-27)3-5-22/h2-7,14,23-24H,8-13,16-19H2,1H3
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| InChIKey |
FBAVHBFHTDLNQC-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