General Information of the Compound
| Compound ID |
CP0472925
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| Compound Name |
propan-2-yl 1-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
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| Structure |
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| Formula |
C27H31BrN4O4
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| Molecular Weight |
555.473
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
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| InChI |
InChI=1S/C27H31BrN4O4/c1-18(2)36-26(35)30-13-11-27(17-30)20-7-3-4-8-22(20)32(25(27)34)16-24-29-21-15-19(28)9-10-23(21)31(24)12-5-6-14-33/h3-4,7-10,15,18,33H,5-6,11-14,16-17H2,1-2H3
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| InChIKey |
RGEQSXWMWDCRJF-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