General Information of the Compound
| Compound ID |
CP0951289
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| Compound Name |
(1-(6-(Aminomethyl)pyrimidin-4-yl)-1H-indol-4-yl)methanol Trifluoroacetate
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| Structure |
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| Formula |
C16H15F3N4O3
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| Molecular Weight |
368.315
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| Canonical SMILES |
NCc1cc(-n2ccc3c(CO)cccc32)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C14H14N4O.C2HF3O2/c15-7-11-6-14(17-9-16-11)18-5-4-12-10(8-19)2-1-3-13(12)18;3-2(4,5)1(6)7/h1-6,9,19H,7-8,15H2;(H,6,7)
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| InChIKey |
UUXRIUUDOSLHRV-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