General Information of the Compound
| Compound ID |
CP0968945
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| Compound Name |
3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-((2-chloropyridin-4-yl)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C18H17Cl2N5O2
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| Molecular Weight |
406.273
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3ccnc(Cl)c3)c2)ncn1
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| InChI |
InChI=1S/C18H16ClN5O2.ClH/c19-16-6-12(4-5-21-16)10-22-18(25)13-2-1-3-15(7-13)26-17-8-14(9-20)23-11-24-17;/h1-8,11H,9-10,20H2,(H,22,25);1H
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| InChIKey |
HJDXNYWDDNMYPU-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