General Information of the Compound
| Compound ID |
CP0962780
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| Compound Name |
N-(3-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl}propyl)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C25H31FN4O4S
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| Molecular Weight |
502.612
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| Canonical SMILES |
CN(CCCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H31FN4O4S/c1-28(35(31,32)23-6-3-2-4-7-23)10-5-11-29-16-21-18-30(19-22(17-29)34-21)12-13-33-25-9-8-20(15-27)14-24(25)26/h2-4,6-9,14,21-22H,5,10-13,16-19H2,1H3
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| InChIKey |
XHAKUMOKUAVUBM-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