General Information of the Compound
| Compound ID |
CP0967975
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-6-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-oxo-2,3-dihydro-1H-isoindole-4-carbonitrile
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| Formula |
C25H22N6O
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| Molecular Weight |
422.492
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(C#N)c2C1=O
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| InChI |
InChI=1S/C25H22N6O/c1-14(15-3-4-15)31-13-19-6-16(5-17(8-26)23(19)25(31)32)18-7-21-22(11-28-24(21)27-9-18)20-10-29-30(2)12-20/h5-7,9-12,14-15H,3-4,13H2,1-2H3,(H,27,28)/t14-/m0/s1
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| InChIKey |
GQSCUQJGEISXTB-AWEZNQCLSA-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