General Information of the Compound
| Compound ID |
CP0533346
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| Compound Name |
3-[(3-methylphenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C23H31N5
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| Molecular Weight |
377.536
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| Canonical SMILES |
CCC(CC)c1nc2c(ccnc2n1Cc1cccc(C)c1)N1CCNCC1
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| InChI |
InChI=1S/C23H31N5/c1-4-19(5-2)22-26-21-20(27-13-11-24-12-14-27)9-10-25-23(21)28(22)16-18-8-6-7-17(3)15-18/h6-10,15,19,24H,4-5,11-14,16H2,1-3H3
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| InChIKey |
AMEIVCNGERIVGC-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