General Information of the Compound
| Compound ID |
CP0967973
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| Compound Name |
2-[(2S)-1-Methoxypropan-2-yl]-7-methyl-5-[3-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C25H24N4O2
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| Molecular Weight |
412.493
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| Canonical SMILES |
COC[C@H](C)N1Cc2cc(-c3cnc4[nH]cc(-c5ccncc5)c4c3)cc(C)c2C1=O
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| InChI |
InChI=1S/C25H24N4O2/c1-15-8-18(9-20-13-29(16(2)14-31-3)25(30)23(15)20)19-10-21-22(12-28-24(21)27-11-19)17-4-6-26-7-5-17/h4-12,16H,13-14H2,1-3H3,(H,27,28)/t16-/m0/s1
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| InChIKey |
ZCXWQHZFLDNAKH-INIZCTEOSA-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