General Information of the Compound
| Compound ID |
CP0954738
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| Compound Name |
(S)-N-(4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)-3-(3-hydroxypyrrolidine-1-carbonyl)benzamide trifluoroacetate
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| Structure |
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| Formula |
C21H20F6N4O5
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| Molecular Weight |
522.402
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| Canonical SMILES |
NCc1cc(NC(=O)c2cccc(C(=O)N3CC[C@H](O)C3)c2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N4O3.C2HF3O2/c20-19(21,22)15-6-11(9-23)7-16(24-15)25-17(28)12-2-1-3-13(8-12)18(29)26-5-4-14(27)10-26;3-2(4,5)1(6)7/h1-3,6-8,14,27H,4-5,9-10,23H2,(H,24,25,28);(H,6,7)/t14-;/m0./s1
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| InChIKey |
GNPRSDXNFRRASH-UQKRIMTDSA-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