General Information of the Compound
| Compound ID |
CP0574801
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| Compound Name |
1'-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2ccccc12
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| InChI |
InChI=1S/C21H22N4O2/c26-12-4-3-11-24-17-6-2-1-5-16(17)23-19(24)14-25-18-13-22-10-7-15(18)21(8-9-21)20(25)27/h1-2,5-7,10,13,26H,3-4,8-9,11-12,14H2
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| InChIKey |
ZQLJNVLGHWONKL-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