General Information of the Compound
| Compound ID |
CP0315956
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| Compound Name |
3'-[(1-acetylpiperidin-4-yl)methyl]-2'-amino-6-(3-chlorophenyl)-2,2-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
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| Structure |
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| Formula |
C27H31ClN4O3
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| Molecular Weight |
495.023
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| Canonical SMILES |
CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1
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| InChI |
InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30)
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| InChIKey |
ZWVDHKMVDCTBOB-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