General Information of the Compound
| Compound ID |
CP0904138
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)-N-((5-fluoro-1H-indol-2-yl)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C22H21ClFN5O2
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| Molecular Weight |
441.894
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| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)NCc3cc4cc(F)ccc4[nH]3)c2)ncn1
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| InChI |
InChI=1S/C22H20FN5O2.ClH/c23-17-4-5-20-16(7-17)8-19(28-20)11-25-22(29)15-3-1-2-14(6-15)12-30-21-9-18(10-24)26-13-27-21;/h1-9,13,28H,10-12,24H2,(H,25,29);1H
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| InChIKey |
OPYGRPPFNNSLPK-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