General Information of the Compound
| Compound ID |
CP0008795
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| Compound Name |
N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
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| Formula |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NC(=O)c3ccccc3)cn2n1
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| InChI |
InChI=1S/C27H25N5O2/c1-16-12-20(13-21-14-31(27(34)25(16)21)17(2)18-8-9-18)22-10-11-24-28-23(15-32(24)30-22)29-26(33)19-6-4-3-5-7-19/h3-7,10-13,15,17-18H,8-9,14H2,1-2H3,(H,29,33)/t17-/m0/s1
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| InChIKey |
XFVLTXDWQPOCLQ-KRWDZBQOSA-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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform