General Information of the Compound
| Compound ID |
CP0062295
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| Compound Name |
4-[2-[4-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
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| Structure |
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| Formula |
C23H22N4O
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| Molecular Weight |
370.456
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)
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| InChIKey |
JMPYOBZSMKYCFM-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