General Information of the Compound
| Compound ID |
CP0074477
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| Compound Name |
4-[2-[2-methyl-3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C26H26N4O2/c1-17-20(16-30-11-13-32-14-12-30)3-2-4-21(17)24-15-23-22(9-10-28-26(23)29-24)18-5-7-19(8-6-18)25(27)31/h2-10,15H,11-14,16H2,1H3,(H2,27,31)(H,28,29)
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| InChIKey |
KASDTXOUSYBOPY-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