General Information of the Compound
| Compound ID |
CP0494333
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| Compound Name |
N-(1,1-dioxothian-4-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C22H25N5O4S
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| Molecular Weight |
455.54
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| Canonical SMILES |
O=C(NC1CCS(=O)(=O)CC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H25N5O4S/c28-22(23-17-9-13-32(29,30)14-10-17)27-11-7-16(8-12-27)21-25-20(26-31-21)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,16-17H,7-14H2,(H,23,28)
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| InChIKey |
NMEMIWRPMNAKKF-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