General Information of the Compound
| Compound ID |
CP0435094
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| Compound Name |
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
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| Structure |
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| Formula |
C23H35FN2O
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| Molecular Weight |
374.544
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)c(F)c1
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| InChI |
InChI=1S/C23H35FN2O/c1-22(2)17-7-10-23(22,3)21(13-17)25-18-8-11-26(12-9-18)15-16-5-6-19(27-4)14-20(16)24/h5-6,14,17-18,21,25H,7-13,15H2,1-4H3/t17-,21-,23+/m1/s1
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| InChIKey |
VMMQPLXBEYNKBU-OAOOKAIFSA-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