General Information of the Compound
| Compound ID |
CP0561840
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| Compound Name |
1-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C25H29BrN4O2
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| Molecular Weight |
497.437
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| Canonical SMILES |
CN1CCC2(CC1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
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| InChI |
InChI=1S/C25H29BrN4O2/c1-28-13-10-25(11-14-28)19-6-2-3-7-21(19)30(24(25)32)17-23-27-20-16-18(26)8-9-22(20)29(23)12-4-5-15-31/h2-3,6-9,16,31H,4-5,10-15,17H2,1H3
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| InChIKey |
QXJNTHPVBPRKSR-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