General Information of the Compound
| Compound ID |
CP0526905
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| Compound Name |
1'-((1H-benzo[d]imidazol-2-yl)methyl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc12
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| InChI |
InChI=1S/C20H19N3O2/c24-19-14-5-1-2-6-15(14)20(25-19)9-11-23(12-10-20)13-18-21-16-7-3-4-8-17(16)22-18/h1-8H,9-13H2,(H,21,22)
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| InChIKey |
YCPYOJBHAKGTTA-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