General Information of the Compound
| Compound ID |
CP0942153
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| Compound Name |
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(5H-pyrrolo[2,3-b:5,4-c']dipyridin-7(6H,8H,9H)-yl)methanone hydrochloride
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| Structure |
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| Formula |
C22H21ClN6O2
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| Molecular Weight |
436.903
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CCc4c([nH]c5ncccc45)C3)c2)ncn1
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| InChI |
InChI=1S/C22H20N6O2.ClH/c23-11-15-10-20(26-13-25-15)30-16-4-1-3-14(9-16)22(29)28-8-6-17-18-5-2-7-24-21(18)27-19(17)12-28;/h1-5,7,9-10,13H,6,8,11-12,23H2,(H,24,27);1H
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| InChIKey |
AKJBWYMSMIDPOY-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