General Information of the Compound
| Compound ID |
CP0969876
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| Compound Name |
trans-3-((3-(4-(2,4-difluorobenzyl)piperazin-l-yl)-7-methylpyrido[3,4-b]pyrazin-2-yl)amino)cyclobutanol
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| Formula |
C23H26F2N6O
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| Molecular Weight |
440.498
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| Canonical SMILES |
Cc1cc2nc(N[C@H]3C[C@H](O)C3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C23H26F2N6O/c1-14-8-20-21(12-26-14)29-23(22(28-20)27-17-10-18(32)11-17)31-6-4-30(5-7-31)13-15-2-3-16(24)9-19(15)25/h2-3,8-9,12,17-18,32H,4-7,10-11,13H2,1H3,(H,27,28)/t17-,18-
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| InChIKey |
ZHCXROWNKAARGH-IYARVYRRSA-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