General Information of the Compound
| Compound ID |
CP0579243
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| Compound Name |
5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C25H25N7O2
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| Molecular Weight |
455.522
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2ncc(C(=O)Nc3cnn(C)c3)c2n1
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| InChI |
InChI=1S/C25H25N7O2/c1-14-8-17(9-18-12-31(25(34)22(14)18)15(2)16-4-5-16)21-6-7-32-23(29-21)20(11-27-32)24(33)28-19-10-26-30(3)13-19/h6-11,13,15-16H,4-5,12H2,1-3H3,(H,28,33)/t15-/m0/s1
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| InChIKey |
XWSSDWRDTZUAIT-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