General Information of the Compound
| Compound ID |
CP0013679
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| Compound Name |
4-[2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-propan-2-ylbenzoic acid
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| Formula |
C30H28F3N5O3
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| Molecular Weight |
563.58
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| Canonical SMILES |
CC(C)c1cc(ccc1C(O)=O)-c1c(N)nn2ccc(nc12)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)C(F)(F)F
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| InChI |
InChI=1S/C30H28F3N5O3/c1-14(2)21-11-17(6-7-20(21)29(40)41)25-26(34)36-38-9-8-23(35-27(25)38)18-10-19-13-37(15(3)16-4-5-16)28(39)24(19)22(12-18)30(31,32)33/h6-12,14-16H,4-5,13H2,1-3H3,(H2,34,36)(H,40,41)/t15-/m0/s1
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| InChIKey |
MYIWJCONSHUYIA-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