General Information of the Compound
| Compound ID |
CP0568018
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| Compound Name |
2,4-diamino-6-[(2S,5S)-2-(5-chloro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-5-methylpyrrolidin-1-yl]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C23H20ClN9O
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| Molecular Weight |
473.928
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| Canonical SMILES |
C[C@H]1CC[C@H](N1c1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1
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| InChI |
InChI=1S/C23H20ClN9O/c1-12-7-8-17(32(12)20-14(10-25)19(26)30-23(27)31-20)21-29-16-6-2-5-15(24)18(16)22(34)33(21)13-4-3-9-28-11-13/h2-6,9,11-12,17H,7-8H2,1H3,(H4,26,27,30,31)/t12-,17-/m0/s1
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| InChIKey |
WALAECWNQSIPAM-SJCJKPOMSA-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
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