General Information of the Compound
| Compound ID |
CP0967474
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| Compound Name |
5-(1-Methanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-2-[1-(5-trifluoromethy1-[1,3,4]thiadiazol-2-yl)-piperidin-4-yl]furo[2,3-c]pyridine
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| Structure |
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| Formula |
C21H22F3N5O3S2
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| Molecular Weight |
513.567
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| Canonical SMILES |
CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5nnc(C(F)(F)F)s5)CC4)oc3cn2)CC1
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| InChI |
InChI=1S/C21H22F3N5O3S2/c1-34(30,31)29-8-4-13(5-9-29)16-10-15-11-17(32-18(15)12-25-16)14-2-6-28(7-3-14)20-27-26-19(33-20)21(22,23)24/h4,10-12,14H,2-3,5-9H2,1H3
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| InChIKey |
IABSCPVCNQFVQJ-UHFFFAOYSA-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