General Information of the Compound
| Compound ID |
CP0887613
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| Compound Name |
trans-3-((3-(4-(2,4-difluorophenoxy)piperidin-l-yl)-7-methylpyrido[3,4-b]pyrazin-2-yl)amino)cyclobutanol
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| Formula |
C23H25F2N5O2
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| Molecular Weight |
441.482
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| Canonical SMILES |
Cc1cc2nc(N[C@H]3C[C@H](O)C3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C23H25F2N5O2/c1-13-8-19-20(12-26-13)29-23(22(28-19)27-15-10-16(31)11-15)30-6-4-17(5-7-30)32-21-3-2-14(24)9-18(21)25/h2-3,8-9,12,15-17,31H,4-7,10-11H2,1H3,(H,27,28)/t15-,16-
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| InChIKey |
TVZWNUDRPDQWSN-WKILWMFISA-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