General Information of the Compound
| Compound ID |
CP0389650
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| Compound Name |
3-[(2-chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C22H28ClN5
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| Molecular Weight |
397.954
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| Canonical SMILES |
CCC(CC)c1nc2c(ccnc2n1Cc1ccccc1Cl)N1CCNCC1
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| InChI |
InChI=1S/C22H28ClN5/c1-3-16(4-2)21-26-20-19(27-13-11-24-12-14-27)9-10-25-22(20)28(21)15-17-7-5-6-8-18(17)23/h5-10,16,24H,3-4,11-15H2,1-2H3
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| InChIKey |
JOKUXKLMFRDAOD-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