General Information of the Compound
| Compound ID |
CP0521169
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| Compound Name |
1-(3-(5-(4-(aminomethyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(3-chlorophenyl)urea
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| Structure |
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| Formula |
C27H22ClN5O
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| Molecular Weight |
467.96
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| Canonical SMILES |
NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)c2c1
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| InChI |
InChI=1S/C27H22ClN5O/c28-21-4-2-6-23(13-21)33-27(34)32-22-5-1-3-19(11-22)25-16-31-26-24(25)12-20(15-30-26)18-9-7-17(14-29)8-10-18/h1-13,15-16H,14,29H2,(H,30,31)(H2,32,33,34)
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| InChIKey |
NAPZYCRLAGIFHT-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