General Information of the Compound
| Compound ID |
CP0211931
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| Compound Name |
1-[2-[[2-chloro-4-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(4-methoxyphenoxy)ethanone
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| Structure |
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| Formula |
C27H35ClN2O4
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| Molecular Weight |
487.04
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| Canonical SMILES |
COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(OCC(C)C)cc4Cl)C3)CC2)cc1
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| InChI |
InChI=1S/C27H35ClN2O4/c1-20(2)16-33-24-5-4-21(25(28)14-24)15-29-18-27(19-29)10-12-30(13-11-27)26(31)17-34-23-8-6-22(32-3)7-9-23/h4-9,14,20H,10-13,15-19H2,1-3H3
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| InChIKey |
SMVHRGCRHJGCQH-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