General Information of the Compound
| Compound ID |
CP0951586
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| Compound Name |
4-[5-(1-Methanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid 1-methyl-cyclopropyl ester
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| Structure |
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| Formula |
C23H29N3O5S
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| Molecular Weight |
459.568
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| Canonical SMILES |
CC1(OC(=O)N2CCC(c3cc4cc(C5=CCN(S(C)(=O)=O)CC5)ncc4o3)CC2)CC1
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| InChI |
InChI=1S/C23H29N3O5S/c1-23(7-8-23)31-22(27)25-9-3-17(4-10-25)20-14-18-13-19(24-15-21(18)30-20)16-5-11-26(12-6-16)32(2,28)29/h5,13-15,17H,3-4,6-12H2,1-2H3
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| InChIKey |
OPONJXMKLSMFOP-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