General Information of the Compound
| Compound ID |
CP0862740
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| Compound Name |
N-(tert-butyl)-3-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}propane-1-sulfonamide
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| Structure |
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| Formula |
C23H36N4O4S
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| Molecular Weight |
464.632
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)CCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C23H36N4O4S/c1-23(2,3)25-32(28,29)13-5-11-27-17-21-15-26(16-22(18-27)31-21)10-4-12-30-20-8-6-19(14-24)7-9-20/h6-9,21-22,25H,4-5,10-13,15-18H2,1-3H3
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| InChIKey |
AMIGGXBUTWTJPW-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