General Information of the Compound
| Compound ID |
CP0012642
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| Compound Name |
4-[2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzoic acid
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| Formula |
C28H27N5O3
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| Molecular Weight |
481.556
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccc(C(O)=O)c(C)c3)c2n1
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| InChI |
InChI=1S/C28H27N5O3/c1-14-10-18(6-7-21(14)28(35)36)24-25(29)31-33-9-8-22(30-26(24)33)19-11-15(2)23-20(12-19)13-32(27(23)34)16(3)17-4-5-17/h6-12,16-17H,4-5,13H2,1-3H3,(H2,29,31)(H,35,36)/t16-/m0/s1
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| InChIKey |
ZDRCETALOQGAMM-INIZCTEOSA-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