General Information of the Compound
| Compound ID |
CP0574557
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| Compound Name |
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C26H27F3N6O4
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| Molecular Weight |
544.534
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1
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| InChI |
InChI=1S/C26H27F3N6O4/c1-12(13-2-3-13)34-10-16-8-15(9-19(20(16)25(34)38)39-26(27,28)29)17-6-7-35-23(31-17)21(22(30)33-35)24(37)32-18(11-36)14-4-5-14/h6-9,12-14,18,36H,2-5,10-11H2,1H3,(H2,30,33)(H,32,37)/t12-,18-/m0/s1
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| InChIKey |
NOENGAAEMPUVMU-SGTLLEGYSA-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