General Information of the Compound
| Compound ID |
CP0561836
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| Compound Name |
1-(4-hydroxybutyl)-2-[(2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(CC3)c3ccccc23)nc2cc(ccc12)C#N
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| InChI |
InChI=1S/C23H22N4O2/c24-14-16-7-8-20-18(13-16)25-21(26(20)11-3-4-12-28)15-27-19-6-2-1-5-17(19)23(9-10-23)22(27)29/h1-2,5-8,13,28H,3-4,9-12,15H2
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| InChIKey |
AXTZRLBMEYGLNX-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