General Information of the Compound
| Compound ID |
CP0523093
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| Compound Name |
N-[(3-chlorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
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| Structure |
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| Formula |
C23H29ClN2O
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| Molecular Weight |
384.951
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| Canonical SMILES |
Clc1cccc(CNCC[C@]2(CCOC3(CCCC3)C2)c2ccccn2)c1
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| InChI |
InChI=1S/C23H29ClN2O/c24-20-7-5-6-19(16-20)17-25-14-11-22(21-8-1-4-13-26-21)12-15-27-23(18-22)9-2-3-10-23/h1,4-8,13,16,25H,2-3,9-12,14-15,17-18H2/t22-/m1/s1
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| InChIKey |
WFDROGGCSKQUSJ-JOCHJYFZSA-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