General Information of the Compound
| Compound ID |
CP0253744
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| Compound Name |
2-(2-(benzylamino)pyridin-4-yl)-3-(3-chloro-4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C26H17ClFN5
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| Molecular Weight |
453.908
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1c([nH]c2ccc(nc12)C#N)-c1ccnc(NCc2ccccc2)c1
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| InChI |
InChI=1S/C26H17ClFN5/c27-20-12-17(6-8-21(20)28)24-25(33-22-9-7-19(14-29)32-26(22)24)18-10-11-30-23(13-18)31-15-16-4-2-1-3-5-16/h1-13,33H,15H2,(H,30,31)
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| InChIKey |
NMARHRXJOFFAMY-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