General Information of the Compound
| Compound ID |
CP0961967
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| Compound Name |
4-[5-(1-MethanesuIfonyl-1,2,3,6-tetrahydropyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-5'-trifluoromethyl-3.4,5,6-tetrahydro-2H-[1,2']bipyridinyl
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| Structure |
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| Formula |
C24H25F3N4O3S
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| Molecular Weight |
506.55
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| Canonical SMILES |
CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(c5ccc(C(F)(F)F)cn5)CC4)oc3cn2)CC1
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| InChI |
InChI=1S/C24H25F3N4O3S/c1-35(32,33)31-10-6-16(7-11-31)20-12-18-13-21(34-22(18)15-28-20)17-4-8-30(9-5-17)23-3-2-19(14-29-23)24(25,26)27/h2-3,6,12-15,17H,4-5,7-11H2,1H3
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| InChIKey |
NAMAXIGOTFPJHE-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