General Information of the Compound
| Compound ID |
CP0504609
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| Compound Name |
1'-(6-(5-(2-(pyridin-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)pyridazin-3-yl)-5-(trifluoromethyl)spiro[chroman-2,4'-piperidine]
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| Structure |
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| Formula |
C27H25F3N6O2
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| Molecular Weight |
522.531
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| Canonical SMILES |
FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(CCc4cccnc4)o3)CCc12
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| InChI |
InChI=1S/C27H25F3N6O2/c28-27(29,30)20-4-1-5-22-19(20)10-11-26(38-22)12-15-36(16-13-26)23-8-7-21(32-33-23)25-35-34-24(37-25)9-6-18-3-2-14-31-17-18/h1-5,7-8,14,17H,6,9-13,15-16H2
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| InChIKey |
CGFOWCYAAJSOPE-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