General Information of the Compound
| Compound ID |
CP0417121
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| Compound Name |
N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C31H37N5O2
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| Molecular Weight |
511.67
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| Canonical SMILES |
COc1cccc(Cn2c(NCCCN3CCC(CC3)c3cccc(NC(C)=O)c3)nc3ccccc23)c1
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| InChI |
InChI=1S/C31H37N5O2/c1-23(37)33-27-10-6-9-26(21-27)25-14-18-35(19-15-25)17-7-16-32-31-34-29-12-3-4-13-30(29)36(31)22-24-8-5-11-28(20-24)38-2/h3-6,8-13,20-21,25H,7,14-19,22H2,1-2H3,(H,32,34)(H,33,37)
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| InChIKey |
ATLHSMTXMSHZHW-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