General Information of the Compound
| Compound ID |
CP0426746
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| Compound Name |
2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
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| Structure |
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| Formula |
C28H33N9O
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| Molecular Weight |
511.634
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| Canonical SMILES |
CC(C)[C@H](Nc1c(-c2nc3ccc(cc3[nH]2)N2CCN(C)CC2)c(=O)[nH]c2cn(C)nc12)c1ccccn1
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| InChI |
InChI=1S/C28H33N9O/c1-17(2)24(20-7-5-6-10-29-20)33-26-23(28(38)32-22-16-36(4)34-25(22)26)27-30-19-9-8-18(15-21(19)31-27)37-13-11-35(3)12-14-37/h5-10,15-17,24,33H,11-14H2,1-4H3,(H,30,31)(H,32,38)/t24-/m0/s1
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| InChIKey |
JYOISKDEKFTAQG-DEOSSOPVSA-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