General Information of the Compound
| Compound ID |
CP0565374
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| Compound Name |
[4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenyl]-piperazin-1-ylmethanone
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| Formula |
C32H37FN6O
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| Molecular Weight |
540.687
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| Canonical SMILES |
Fc1ccc(Cn2c(NC3CCN(CCc4ccc(cc4)C(=O)N4CCNCC4)CC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C32H37FN6O/c33-27-11-7-25(8-12-27)23-39-30-4-2-1-3-29(30)36-32(39)35-28-14-19-37(20-15-28)18-13-24-5-9-26(10-6-24)31(40)38-21-16-34-17-22-38/h1-12,28,34H,13-23H2,(H,35,36)
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| InChIKey |
QTTUZYQBQVHRFR-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