General Information of the Compound
| Compound ID |
CP0395475
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| Compound Name |
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
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| Structure |
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| Formula |
C25H32FNO
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| Molecular Weight |
381.535
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| Canonical SMILES |
C[C@@H](NCC[C@]1(CCOC2(CCCC2)C1)c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H32FNO/c1-20(21-7-3-2-4-8-21)27-17-15-24(22-9-11-23(26)12-10-22)16-18-28-25(19-24)13-5-6-14-25/h2-4,7-12,20,27H,5-6,13-19H2,1H3/t20-,24-/m1/s1
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| InChIKey |
XCESYEVAPKMFLS-HYBUGGRVSA-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