General Information of the Compound
| Compound ID |
CP0677445
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| Compound Name |
N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-(1,3-thiazol-2-yl)benzamide
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| Formula |
C28H26FN3OS
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| Molecular Weight |
471.601
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| Canonical SMILES |
O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccccc1-c1nccs1
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| InChI |
InChI=1S/C28H26FN3OS/c29-21-8-7-19-13-18(5-6-20(19)14-21)17-32-23-9-10-24(32)16-22(15-23)31-27(33)25-3-1-2-4-26(25)28-30-11-12-34-28/h1-8,11-14,22-24H,9-10,15-17H2,(H,31,33)/t22-,23-,24+
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| InChIKey |
CCQZIJFCSQARFM-JOZNFPNDSA-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