General Information of the Compound
| Compound ID |
CP0869565
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| Compound Name |
3-((4-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-1H-indol-1-yl)methyl)benzoic acid Trifluoroacetate
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| Structure |
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| Formula |
C23H19F3N4O5
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| Molecular Weight |
488.422
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| Canonical SMILES |
NCc1cc(Oc2cccc3c2ccn3Cc2cccc(C(=O)O)c2)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H18N4O3.C2HF3O2/c22-11-16-10-20(24-13-23-16)28-19-6-2-5-18-17(19)7-8-25(18)12-14-3-1-4-15(9-14)21(26)27;3-2(4,5)1(6)7/h1-10,13H,11-12,22H2,(H,26,27);(H,6,7)
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| InChIKey |
QKZNHVFOEIJBSN-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