General Information of the Compound
| Compound ID |
CP0297360
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| Compound Name |
(R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluoromethyl)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C26H28F2N4O2S
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| Molecular Weight |
498.599
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| Canonical SMILES |
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C(F)F
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| InChI |
InChI=1S/C26H28F2N4O2S/c1-15(17-9-8-16(11-18(17)24(27)28)13-31-26(2,3)4)34-20-12-21(35-23(20)25(29)33)19-14-30-22-7-5-6-10-32(19)22/h5-12,14-15,24,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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| InChIKey |
TXQWUULCESCGAP-OAHLLOKOSA-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