General Information of the Compound
| Compound ID |
CP0928218
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-7-methyl-5-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
Cc1cc(-c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C25H25N5O/c1-14-6-17(7-19-13-30(25(31)23(14)19)15(2)16-4-5-16)18-8-21-22(11-27-24(21)26-9-18)20-10-28-29(3)12-20/h6-12,15-16H,4-5,13H2,1-3H3,(H,26,27)/t15-/m0/s1
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| InChIKey |
OMDKAXAADSVBLA-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