General Information of the Compound
| Compound ID |
CP0381667
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| Compound Name |
N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
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| Structure |
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| Formula |
C21H29ClFN3
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| Molecular Weight |
377.935
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| Canonical SMILES |
Fc1cc(Cl)ccc1CN1CCC(CC1)NC1C2CC3CC1CN(C3)C2
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| InChI |
InChI=1S/C21H29ClFN3/c22-18-2-1-15(20(23)9-18)11-25-5-3-19(4-6-25)24-21-16-7-14-8-17(21)13-26(10-14)12-16/h1-2,9,14,16-17,19,21,24H,3-8,10-13H2
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| InChIKey |
YMBUIWRLRIBYNI-UHFFFAOYSA-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