General Information of the Compound
| Compound ID |
CP0951303
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| Compound Name |
rac-2-(3-Amino-1H-pyrazolo[3,4-b]pyridin-1-yl)-1-(1-(4-chloro-3-methoxyphenyl)piperidin-4-yl)ethanol
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| Structure |
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| Formula |
C20H24ClN5O2
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| Molecular Weight |
401.898
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| Canonical SMILES |
COc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl
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| InChI |
InChI=1S/C20H24ClN5O2/c1-28-18-11-14(4-5-16(18)21)25-9-6-13(7-10-25)17(27)12-26-20-15(19(22)24-26)3-2-8-23-20/h2-5,8,11,13,17,27H,6-7,9-10,12H2,1H3,(H2,22,24)
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| InChIKey |
LKWBMIXPFYNIJQ-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