General Information of the Compound
| Compound ID |
CP0005582
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| Compound Name |
(1S,4S)-2-methyl-5-(4-pyridin-3-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C17H19N3
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| Molecular Weight |
265.36
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| Canonical SMILES |
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C17H19N3/c1-19-11-17-9-16(19)12-20(17)15-6-4-13(5-7-15)14-3-2-8-18-10-14/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1
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| InChIKey |
CWHHCUGTSVYUTG-IRXDYDNUSA-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