General Information of the Compound
| Compound ID |
CP0960317
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| Compound Name |
(3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)phenyl)(5,6-dihydro-1,7-naphthyridin-7(8H)-yl)methanone Trifluoroacetate
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| Structure |
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| Formula |
C23H22F3N5O4
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| Molecular Weight |
489.454
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| Canonical SMILES |
NCc1cc(OCc2cccc(C(=O)N3CCc4cccnc4C3)c2)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H21N5O2.C2HF3O2/c22-11-18-10-20(25-14-24-18)28-13-15-3-1-4-17(9-15)21(27)26-8-6-16-5-2-7-23-19(16)12-26;3-2(4,5)1(6)7/h1-5,7,9-10,14H,6,8,11-13,22H2;(H,6,7)
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| InChIKey |
NCNNLHSJISXRBU-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