General Information of the Compound
| Compound ID |
CP0416530
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-1-oxo-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(CC(N(C2=O)c2ccc(cc2)-c2ccccc2)C(O)=O)CC1
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| InChI |
InChI=1S/C28H29N3O3/c1-20-6-5-15-29-24(20)19-30-16-13-28(14-17-30)18-25(26(32)33)31(27(28)34)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-12,15,25H,13-14,16-19H2,1H3,(H,32,33)
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| InChIKey |
PBPNZBHJJCGTEK-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