General Information of the Compound
| Compound ID |
CP0864370
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| Compound Name |
5-chloro-N-(2-{7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}ethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C22H29ClN6O4S
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| Molecular Weight |
509.032
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| Canonical SMILES |
Cc1nn(C)c(Cl)c1S(=O)(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C22H29ClN6O4S/c1-16-21(22(23)27(2)26-16)34(30,31)25-7-8-28-12-19-14-29(15-20(13-28)33-19)9-10-32-18-5-3-17(11-24)4-6-18/h3-6,19-20,25H,7-10,12-15H2,1-2H3
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| InChIKey |
XETZHZZXWRLZBZ-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