General Information of the Compound
| Compound ID |
CP0853222
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| Compound Name |
N-((1H-pyrrolo[2,3-b]pyridin-2-yl)methyl)-3-(((6-(aminomethyl)pyrimidin-4-yl)oxy)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C21H21ClN6O2
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| Molecular Weight |
424.892
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)NCc3cc4cccnc4[nH]3)c2)ncn1
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| InChI |
InChI=1S/C21H20N6O2.ClH/c22-10-17-9-19(26-13-25-17)29-12-14-3-1-4-16(7-14)21(28)24-11-18-8-15-5-2-6-23-20(15)27-18;/h1-9,13H,10-12,22H2,(H,23,27)(H,24,28);1H
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| InChIKey |
QIIGQFQEDQBWHD-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