General Information of the Compound
| Compound ID |
CP0903892
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| Compound Name |
Methyl (S)-3-(3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzamido)pent-4-ynoate
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| Structure |
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| Formula |
C20H18F3N3O4
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| Molecular Weight |
421.375
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| Canonical SMILES |
C#C[C@H](CC(=O)OC)NC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1
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| InChI |
InChI=1S/C20H18F3N3O4/c1-3-14(10-18(27)29-2)25-19(28)13-5-4-6-15(9-13)30-17-8-12(11-24)7-16(26-17)20(21,22)23/h1,4-9,14H,10-11,24H2,2H3,(H,25,28)/t14-/m1/s1
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| InChIKey |
XMXRMUXLLLACRX-CQSZACIVSA-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