General Information of the Compound
| Compound ID |
CP0427480
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| Compound Name |
1-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C27H31BrN4O3
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| Molecular Weight |
539.474
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(CCN(CC3)C3COC3)c3ccccc23)nc2cc(Br)ccc12
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| InChI |
InChI=1S/C27H31BrN4O3/c28-19-7-8-24-22(15-19)29-25(31(24)11-3-4-14-33)16-32-23-6-2-1-5-21(23)27(26(32)34)9-12-30(13-10-27)20-17-35-18-20/h1-2,5-8,15,20,33H,3-4,9-14,16-18H2
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| InChIKey |
HVAUTQRKQFDWTL-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