General Information of the Compound
| Compound ID |
CP0882451
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| Compound Name |
2-[(1S)-1-Cyclopropylethyl]-5-[3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C25H22F3N5O
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| Molecular Weight |
465.479
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(-c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)cc(C(F)(F)F)c2C1=O
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| InChI |
InChI=1S/C25H22F3N5O/c1-13(14-3-4-14)33-12-17-5-15(7-21(25(26,27)28)22(17)24(33)34)16-6-19-20(10-30-23(19)29-8-16)18-9-31-32(2)11-18/h5-11,13-14H,3-4,12H2,1-2H3,(H,29,30)/t13-/m0/s1
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| InChIKey |
IHFYNUWFZFGUFQ-ZDUSSCGKSA-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