General Information of the Compound
| Compound ID |
CP0544968
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| Compound Name |
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-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 |
C26H30N6O3
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| Molecular Weight |
474.565
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1
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| InChI |
InChI=1S/C26H30N6O3/c1-13-9-17(10-18-11-31(26(35)21(13)18)14(2)15-3-4-15)19-7-8-32-24(28-19)22(23(27)30-32)25(34)29-20(12-33)16-5-6-16/h7-10,14-16,20,33H,3-6,11-12H2,1-2H3,(H2,27,30)(H,29,34)/t14-,20-/m0/s1
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| InChIKey |
OJCCILOGVJUOQQ-XOBRGWDASA-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