General Information of the Compound
| Compound ID |
CP0567847
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| Compound Name |
2,4-diamino-6-[(2S,5S)-2-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-5-methylpyrrolidin-1-yl]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C24H20ClFN8O
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| Molecular Weight |
490.93
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| Canonical SMILES |
C[C@H]1CC[C@H](N1c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1
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| InChI |
InChI=1S/C24H20ClFN8O/c1-12-8-9-18(33(12)21-15(11-27)20(28)31-24(29)32-21)22-30-17-7-3-6-16(25)19(17)23(35)34(22)14-5-2-4-13(26)10-14/h2-7,10,12,18H,8-9H2,1H3,(H4,28,29,31,32)/t12-,18-/m0/s1
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| InChIKey |
SYVKTZKGIMYEOD-SGTLLEGYSA-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
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform