General Information of the Compound
| Compound ID |
CP0013154
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| Compound Name |
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
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| Formula |
C26H27N7O2
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| Molecular Weight |
469.549
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(NC(C)=O)c(-c3cnn(C)c3)c2n1
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| InChI |
InChI=1S/C26H27N7O2/c1-14-9-18(10-19-13-32(26(35)22(14)19)15(2)17-5-6-17)21-7-8-33-25(29-21)23(20-11-27-31(4)12-20)24(30-33)28-16(3)34/h7-12,15,17H,5-6,13H2,1-4H3,(H,28,30,34)/t15-/m0/s1
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| InChIKey |
MMBUORMVFSLTCE-HNNXBMFYSA-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