General Information of the Compound
| Compound ID |
CP0005858
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| Compound Name |
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-[2-(1,3-thiazol-5-yl)ethynyl]isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C29H21N7O2S
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| Molecular Weight |
531.601
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| Canonical SMILES |
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cncs3)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C29H21N7O2S/c1-18(33-28(37)25-26(30)34-35-14-6-13-32-27(25)35)23-15-20-8-5-7-19(11-12-22-16-31-17-39-22)24(20)29(38)36(23)21-9-3-2-4-10-21/h2-10,13-18H,1H3,(H2,30,34)(H,33,37)/t18-/m0/s1
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| InChIKey |
VLBCDBMQYLNSLY-SFHVURJKSA-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