General Information of the Compound
| Compound ID |
CP0828771
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| Compound Name |
N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-pyrimidin-5-ylbenzamidefumarate
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| Formula |
C33H31FN4O5
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| Molecular Weight |
582.632
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| Canonical SMILES |
O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccccc1-c1cncnc1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C29H27FN4O.C4H4O4/c30-23-8-7-20-11-19(5-6-21(20)12-23)17-34-25-9-10-26(34)14-24(13-25)33-29(35)28-4-2-1-3-27(28)22-15-31-18-32-16-22;5-3(6)1-2-4(7)8/h1-8,11-12,15-16,18,24-26H,9-10,13-14,17H2,(H,33,35);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-,25-,26+;
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| InChIKey |
ZKJLBBBKFHHNHD-SXHADYPDSA-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