General Information of the Compound
| Compound ID |
CP0568890
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| Compound Name |
3-[5-(4-benzhydrylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C29H34N4O
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| Molecular Weight |
454.618
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H34N4O/c34-29-30-26-16-8-9-17-27(26)33(29)19-11-3-10-18-31-20-22-32(23-21-31)28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-2,4-9,12-17,28H,3,10-11,18-23H2,(H,30,34)
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| InChIKey |
CXRHEXWLYWNUKQ-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