General Information of the Compound
| Compound ID |
CP0927905
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| Compound Name |
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-cyclopropylethanone
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| Structure |
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CC2CC2)C1
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| InChI |
InChI=1S/C27H28N6O2/c28-26-24-25(19-10-12-22(13-11-19)35-21-6-2-1-3-7-21)31-33(27(24)30-17-29-26)20-5-4-14-32(16-20)23(34)15-18-8-9-18/h1-3,6-7,10-13,17-18,20H,4-5,8-9,14-16H2,(H2,28,29,30)/t20-/m1/s1
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| InChIKey |
JXKLRZXWHDTLQX-HXUWFJFHSA-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