General Information of the Compound
| Compound ID |
CP0450603
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| Compound Name |
N-[(4-methylthiophen-2-yl)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 |
C22H30N2OS
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| Molecular Weight |
370.562
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| Canonical SMILES |
Cc1csc(CNCC[C@]2(CCOC3(CCCC3)C2)c2ccccn2)c1
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| InChI |
InChI=1S/C22H30N2OS/c1-18-14-19(26-16-18)15-23-12-9-21(20-6-2-5-11-24-20)10-13-25-22(17-21)7-3-4-8-22/h2,5-6,11,14,16,23H,3-4,7-10,12-13,15,17H2,1H3/t21-/m1/s1
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| InChIKey |
PRBMCNUQSIUDRH-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