General Information of the Compound
Compound ID |
CP0460183
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Compound Name |
Benzyl-[(3S,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylmethyl)-1-methyl-pyrrolidin-3-ylmethyl]-cyanamide
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Structure |
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Formula |
C26H28N6
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Molecular Weight |
424.552
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Canonical SMILES |
CN1C[C@@H](CN(Cc2ccccc2)C#N)C[C@@H]1Cc1c[nH]c2ccc(cc12)-n1ccnc1
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InChI |
InChI=1S/C26H28N6/c1-30-15-21(17-31(18-27)16-20-5-3-2-4-6-20)11-24(30)12-22-14-29-26-8-7-23(13-25(22)26)32-10-9-28-19-32/h2-10,13-14,19,21,24,29H,11-12,15-17H2,1H3/t21-,24+/m0/s1
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InChIKey |
SMNOKNRMZFBNMY-XUZZJYLKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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