General Information of the Compound
| Compound ID |
CP0799907
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| Compound Name |
2-(Azepan-1-ylcarbonyl)-N-{(3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}benzamide
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| Formula |
C32H36FN3O2
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| Molecular Weight |
513.657
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| Canonical SMILES |
O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1ccccc1C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C32H36FN3O2/c33-25-12-11-23-17-22(9-10-24(23)18-25)21-36-27-13-14-28(36)20-26(19-27)34-31(37)29-7-3-4-8-30(29)32(38)35-15-5-1-2-6-16-35/h3-4,7-12,17-18,26-28H,1-2,5-6,13-16,19-21H2,(H,34,37)/t26-,27-,28+
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| InChIKey |
GIPFZYIDTGSYHG-CXAYTTCISA-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