General Information of the Compound
| Compound ID |
CP0918237
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| Compound Name |
5-(1-Methanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-2-[1-(1-trifluoromethylcyclopropylmethyl)-piperidin-4-yl]furo[2,3-c]pyridine
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| Structure |
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| Formula |
C23H28F3N3O3S
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| Molecular Weight |
483.556
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| Canonical SMILES |
CS(=O)(=O)N1CC=C(c2cc3cc(C4CCN(CC5(C(F)(F)F)CC5)CC4)oc3cn2)CC1
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| InChI |
InChI=1S/C23H28F3N3O3S/c1-33(30,31)29-10-4-16(5-11-29)19-12-18-13-20(32-21(18)14-27-19)17-2-8-28(9-3-17)15-22(6-7-22)23(24,25)26/h4,12-14,17H,2-3,5-11,15H2,1H3
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| InChIKey |
NNDGZPGSUHTBHN-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