General Information of the Compound
| Compound ID |
CP0536424
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| Compound Name |
N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]-2-methylsulfanylpyridine-3-carboxamide
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| Structure |
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| Formula |
C22H27N3OS
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| Molecular Weight |
381.545
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| Canonical SMILES |
CSc1ncccc1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C
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| InChI |
InChI=1S/C22H27N3OS/c1-25-15-16-10-12-22(25,13-11-16)19(17-7-4-3-5-8-17)24-20(26)18-9-6-14-23-21(18)27-2/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,24,26)/t16?,19-,22?/m1/s1
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| InChIKey |
PCQNVXFQLZSQQE-COFLGROHSA-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