General Information of the Compound
| Compound ID |
CP0547618
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| Compound Name |
3-[2-[7-methyl-3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl]ethynyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C27H21F3N6
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| Molecular Weight |
486.501
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| Canonical SMILES |
CC(C)n1nc(C#Cc2c(C)ccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12
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| InChI |
InChI=1S/C27H21F3N6/c1-15(2)36-26-24(25(31)33-14-34-26)22(35-36)10-9-20-16(3)7-8-17-12-23(32-13-21(17)20)18-5-4-6-19(11-18)27(28,29)30/h4-8,11-15H,1-3H3,(H2,31,33,34)
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| InChIKey |
BCQMLQGCVHMBRI-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