General Information of the Compound
| Compound ID |
CP0545283
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| Compound Name |
(3S,5R)-1-[(4-chlorophenyl)methyl]-7-cyclohexyl-3-hydroxy-1,7-diazaspiro[4.4]nonan-6-one
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| Structure |
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| Formula |
C20H27ClN2O2
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| Molecular Weight |
362.901
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| Canonical SMILES |
O[C@@H]1CN(Cc2ccc(Cl)cc2)[C@]2(CCN(C3CCCCC3)C2=O)C1
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| InChI |
InChI=1S/C20H27ClN2O2/c21-16-8-6-15(7-9-16)13-22-14-18(24)12-20(22)10-11-23(19(20)25)17-4-2-1-3-5-17/h6-9,17-18,24H,1-5,10-14H2/t18-,20+/m0/s1
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| InChIKey |
LJRACTJNWALOQM-AZUAARDMSA-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