General Information of the Compound
| Compound ID |
CP0210452
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| Compound Name |
1'-[(1-methylimidazol-2-yl)methyl]-1-thiophen-3-ylspiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C21H22N4OS
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| Molecular Weight |
378.501
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| Canonical SMILES |
Cn1ccnc1CN1CCC2(CC1)C(=O)N(c1ccsc1)c1ccccc21
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| InChI |
InChI=1S/C21H22N4OS/c1-23-12-9-22-19(23)14-24-10-7-21(8-11-24)17-4-2-3-5-18(17)25(20(21)26)16-6-13-27-15-16/h2-6,9,12-13,15H,7-8,10-11,14H2,1H3
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| InChIKey |
AFZIEFPEUGSXDR-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