General Information of the Compound
| Compound ID |
CP0949639
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| Compound Name |
4-cyano-N-(2-{7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H30N6O3S
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| Molecular Weight |
458.588
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| Canonical SMILES |
Cc1cc(C)n(CCN2CC3CN(CCNS(=O)(=O)c4ccc(C#N)cc4)CC(C2)O3)n1
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| InChI |
InChI=1S/C22H30N6O3S/c1-17-11-18(2)28(25-17)10-9-27-15-20-13-26(14-21(16-27)31-20)8-7-24-32(29,30)22-5-3-19(12-23)4-6-22/h3-6,11,20-21,24H,7-10,13-16H2,1-2H3
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| InChIKey |
BPWQDKYRMRINAP-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