General Information of the Compound
| Compound ID |
CP0522861
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| Compound Name |
benzimidazolone scaffold, 17d
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
COc1ccc(cc1)-n1c2ccccc2n(CCCN2CCN(CC2)c2ccccc2OC)c1=O
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| InChI |
InChI=1S/C28H32N4O3/c1-34-23-14-12-22(13-15-23)32-25-9-4-3-8-24(25)31(28(32)33)17-7-16-29-18-20-30(21-19-29)26-10-5-6-11-27(26)35-2/h3-6,8-15H,7,16-21H2,1-2H3
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| InChIKey |
RDKWEZMEUOXORN-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