General Information of the Compound
| Compound ID |
CP0092308
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| Compound Name |
4-[2-amino-5-[4-[(dimethylamino)methyl]thiophen-2-yl]pyridin-3-yl]-2-[(Z,2R)-5,5,5-trifluoropent-3-en-2-yl]oxybenzamide
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| Structure |
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| Formula |
C24H25F3N4O2S
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| Molecular Weight |
490.551
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| Canonical SMILES |
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1
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| InChIKey |
LLEOOSLUHRQCHZ-LMVHVUTASA-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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Table of Molecular Bioactivities Related to the Compound