General Information of the Compound
| Compound ID |
CP0828772
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| Compound Name |
N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-(1H-pyrrol-1-yl)benzamide
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| Formula |
C29H28FN3O
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| Molecular Weight |
453.561
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| Canonical SMILES |
O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccccc1-n1cccc1
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| InChI |
InChI=1S/C29H28FN3O/c30-23-10-9-21-15-20(7-8-22(21)16-23)19-33-25-11-12-26(33)18-24(17-25)31-29(34)27-5-1-2-6-28(27)32-13-3-4-14-32/h1-10,13-16,24-26H,11-12,17-19H2,(H,31,34)/t24-,25-,26+
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| InChIKey |
KRJJPCYIKDODRF-PBROBROCSA-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