General Information of the Compound
| Compound ID |
CP0407124
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| Compound Name |
N-(pyridin-3-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
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| Structure |
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccnc1
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| InChI |
InChI=1S/C22H29N3O/c1-4-13-25-20(7-1)21(10-14-24-17-19-6-5-12-23-16-19)11-15-26-22(18-21)8-2-3-9-22/h1,4-7,12-13,16,24H,2-3,8-11,14-15,17-18H2/t21-/m1/s1
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| InChIKey |
BMMVFQHOKOLWTG-OAQYLSRUSA-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