General Information of the Compound
| Compound ID |
CP0948423
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| Compound Name |
4-cyano-N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H29N5O4S
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| Molecular Weight |
495.605
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)c4ccc(C#N)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H29N5O4S/c26-14-20-2-6-22(7-3-20)33-13-1-11-29-16-23-18-30(19-24(17-29)34-23)12-10-28-35(31,32)25-8-4-21(15-27)5-9-25/h2-9,23-24,28H,1,10-13,16-19H2
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| InChIKey |
RKQWDCHCELQJCM-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