General Information of the Compound
| Compound ID |
CP0374034
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| Compound Name |
3-[9-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc[nH]c1=O
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| InChI |
InChI=1S/C29H33N3O4/c1-35-25-10-4-5-11-26(25)36-24-9-3-2-7-22(24)21-31-17-12-29(13-18-31)14-19-32(20-15-29)28(34)23-8-6-16-30-27(23)33/h2-11,16H,12-15,17-21H2,1H3,(H,30,33)
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| InChIKey |
AQTZHUHBIRXOHR-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