General Information of the Compound
| Compound ID |
CP0853911
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| Compound Name |
2-(3-((4-(cyclobutanecarbonyl)piperazin-1-yl)methyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C31H31N5O2
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| Molecular Weight |
505.622
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| Canonical SMILES |
COc1cccc(-c2nc3ccc(-c4ccccc4C#N)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1
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| InChI |
InChI=1S/C31H31N5O2/c1-38-26-10-5-9-23(18-26)30-28(21-34-14-16-35(17-15-34)31(37)22-7-4-8-22)36-20-25(12-13-29(36)33-30)27-11-3-2-6-24(27)19-32/h2-3,5-6,9-13,18,20,22H,4,7-8,14-17,21H2,1H3
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| InChIKey |
KVXFITQHDUAIJD-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