General Information of the Compound
| Compound ID |
CP0487198
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| Compound Name |
8-[(3-methylpyridin-2-yl)methyl]-2,4-dioxo-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid
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| Structure |
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| Formula |
C27H26N4O4
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| Molecular Weight |
470.529
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| Canonical SMILES |
Cc1cccnc1CN1CCC2(NC(=O)N(C2=O)c2ccc(cc2)-c2ccccc2)C(C1)C(O)=O
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| InChI |
InChI=1S/C27H26N4O4/c1-18-6-5-14-28-23(18)17-30-15-13-27(22(16-30)24(32)33)25(34)31(26(35)29-27)21-11-9-20(10-12-21)19-7-3-2-4-8-19/h2-12,14,22H,13,15-17H2,1H3,(H,29,35)(H,32,33)
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| InChIKey |
QTFWXVJHEFHBIN-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