General Information of the Compound
| Compound ID |
CP0568753
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| Compound Name |
3-bromo-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C21H24BrN3O
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| Molecular Weight |
414.347
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| Canonical SMILES |
CN1CC2CCC1(CC2)[C@H](NC(=O)c1ccncc1Br)c1ccccc1
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| InChI |
InChI=1S/C21H24BrN3O/c1-25-14-15-7-10-21(25,11-8-15)19(16-5-3-2-4-6-16)24-20(26)17-9-12-23-13-18(17)22/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3,(H,24,26)/t15?,19-,21?/m1/s1
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| InChIKey |
SVGTVKPJANURDU-QOSBUDKSSA-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