General Information of the Compound
| Compound ID |
CP0218511
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| Compound Name |
2-cyclopentyl-4-[5-[2-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
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| Structure |
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| Formula |
C27H28N4O
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| Molecular Weight |
424.548
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| Canonical SMILES |
CN(C)c1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(c3)C3CCCC3)c2c1
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| InChI |
InChI=1S/C27H28N4O/c1-31(2)25-10-6-5-9-20(25)19-14-23-24(16-30-27(23)29-15-19)18-11-12-21(26(28)32)22(13-18)17-7-3-4-8-17/h5-6,9-17H,3-4,7-8H2,1-2H3,(H2,28,32)(H,29,30)
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| InChIKey |
QBDIPIAOCRWZRY-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