General Information of the Compound
| Compound ID |
CP0875574
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| Compound Name |
(R)-1-(3-(4-Amino-3-(2,5-dichloro-4-((3-fluorobenzyl)oxy)-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H23Cl2FN6O2
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| Molecular Weight |
541.414
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3cc(Cl)c(OCc4cccc(F)c4)cc3Cl)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C26H23Cl2FN6O2/c1-2-22(36)34-8-4-7-17(12-34)35-26-23(25(30)31-14-32-26)24(33-35)18-10-20(28)21(11-19(18)27)37-13-15-5-3-6-16(29)9-15/h2-3,5-6,9-11,14,17H,1,4,7-8,12-13H2,(H2,30,31,32)/t17-/m1/s1
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| InChIKey |
DRFFMFBUJSTTDZ-QGZVFWFLSA-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