General Information of the Compound
| Compound ID |
CP0524193
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| Compound Name |
methyl 2-[4-[[1-[1-(7-fluoronaphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetate
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| Structure |
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| Formula |
C31H35FN2O3S
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| Molecular Weight |
534.697
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| Canonical SMILES |
COC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccc(F)cc23)cc1
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| InChI |
InChI=1S/C31H35FN2O3S/c1-37-30(35)21-38-27-9-5-22(6-10-27)19-23-11-15-33(16-12-23)26-13-17-34(18-14-26)31(36)28-4-2-3-24-7-8-25(32)20-29(24)28/h2-10,20,23,26H,11-19,21H2,1H3
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| InChIKey |
PXUGFEOPGURFJL-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