General Information of the Compound
| Compound ID |
CP0117919
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| Compound Name |
4-[2-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
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| Structure |
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| Formula |
C26H24N4O
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| Molecular Weight |
408.505
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| Canonical SMILES |
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H24N4O/c1-18-2-3-20(17-30-10-12-31-13-11-30)14-23(18)25-15-24-22(8-9-28-26(24)29-25)21-6-4-19(16-27)5-7-21/h2-9,14-15H,10-13,17H2,1H3,(H,28,29)
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| InChIKey |
RKUFTGVQCIAMMG-UHFFFAOYSA-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