General Information of the Compound
| Compound ID |
CP0914261
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| Compound Name |
(rel)-(8-(bis(2-chlorophenyl)methyl)-3-(6-fluoropyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methanamine
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| Formula |
C26H26Cl2FN3
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| Molecular Weight |
470.419
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| Canonical SMILES |
NC[C@@]1(c2cccc(F)n2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H26Cl2FN3/c27-21-8-3-1-6-19(21)25(20-7-2-4-9-22(20)28)32-17-12-13-18(32)15-26(14-17,16-30)23-10-5-11-24(29)31-23/h1-11,17-18,25H,12-16,30H2/t17-,18+,26-
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| InChIKey |
KDYIOJCWHMWUGE-JSCPRHNGSA-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