General Information of the Compound
| Compound ID |
CP0337820
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| Compound Name |
1-[2-[[2-chloro-4-(triazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(4-methoxyphenoxy)ethanone
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| Structure |
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| Formula |
C25H28ClN5O3
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| Molecular Weight |
481.984
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| Canonical SMILES |
COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-n4nccn4)C3)CC2)cc1
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| InChI |
InChI=1S/C25H28ClN5O3/c1-33-21-4-6-22(7-5-21)34-16-24(32)30-12-8-25(9-13-30)17-29(18-25)15-19-2-3-20(14-23(19)26)31-27-10-11-28-31/h2-7,10-11,14H,8-9,12-13,15-18H2,1H3
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| InChIKey |
BNLUKHOWAIVTJO-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