General Information of the Compound
| Compound ID |
CP0927906
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| Compound Name |
(R)-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)(cyclopropyl)methanone
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| Structure |
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)C2CC2)C1
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| InChI |
InChI=1S/C26H26N6O2/c27-24-22-23(17-10-12-21(13-11-17)34-20-6-2-1-3-7-20)30-32(25(22)29-16-28-24)19-5-4-14-31(15-19)26(33)18-8-9-18/h1-3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,(H2,27,28,29)/t19-/m1/s1
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| InChIKey |
GMAYFNOHSBTWNT-LJQANCHMSA-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