General Information of the Compound
| Compound ID |
CP0492111
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| Compound Name |
tert-butyl 4-[3-[4-carbamoyl-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C33H35F3N4O5
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| Molecular Weight |
624.66
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| Canonical SMILES |
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(CC3)C(=O)OC(C)(C)C)ccn12)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C33H35F3N4O5/c1-20(24-7-5-6-8-26(24)33(34,35)36)43-28-17-21(9-10-25(28)30(37)41)27-19-38-29-18-23(13-16-40(27)29)44-22-11-14-39(15-12-22)31(42)45-32(2,3)4/h5-10,13,16-20,22H,11-12,14-15H2,1-4H3,(H2,37,41)/t20-/m1/s1
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| InChIKey |
PSINLBJQJPMJGR-HXUWFJFHSA-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