General Information of the Compound
| Compound ID |
CP0493091
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| Compound Name |
N-[3-[1-[3-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C34H43N5O
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| Molecular Weight |
537.752
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2Cc2ccc(cc2)C(C)(C)C)CC1
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| InChI |
InChI=1S/C34H43N5O/c1-25(40)36-30-10-7-9-28(23-30)27-17-21-38(22-18-27)20-8-19-35-33-37-31-11-5-6-12-32(31)39(33)24-26-13-15-29(16-14-26)34(2,3)4/h5-7,9-16,23,27H,8,17-22,24H2,1-4H3,(H,35,37)(H,36,40)
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| InChIKey |
GOUXVFGHGYYLAE-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