General Information of the Compound
| Compound ID |
CP0954606
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| Compound Name |
4-cyano-N-methyl-N-{2-[7-(2-phenylethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl}benzenesulfonamide
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| Structure |
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| Formula |
C24H30N4O3S
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| Molecular Weight |
454.596
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| Canonical SMILES |
CN(CCN1CC2CN(CCc3ccccc3)CC(C1)O2)S(=O)(=O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C24H30N4O3S/c1-26(32(29,30)24-9-7-21(15-25)8-10-24)13-14-28-18-22-16-27(17-23(19-28)31-22)12-11-20-5-3-2-4-6-20/h2-10,22-23H,11-14,16-19H2,1H3
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| InChIKey |
NCCPMJNCNJFNLS-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