General Information of the Compound
| Compound ID |
CP0545558
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| Compound Name |
3-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C28H29N3O
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| Molecular Weight |
423.56
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1CCCN1CCC(CC1)=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H29N3O/c32-28-29-25-14-7-8-15-26(25)31(28)19-9-18-30-20-16-24(17-21-30)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2,(H,29,32)
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| InChIKey |
QOJZWEYALATGKI-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