General Information of the Compound
| Compound ID |
CP0499050
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| Compound Name |
1'-{6-[5-(Pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-3,4-dihydrospiro[chromene-2,4'-piperidine]
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1ccncc1
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| InChI |
InChI=1S/C25H24N6O2/c1-2-4-21-19(3-1)7-10-25(33-21)11-15-31(16-12-25)22-6-5-20(27-28-22)24-30-29-23(32-24)17-18-8-13-26-14-9-18/h1-6,8-9,13-14H,7,10-12,15-17H2
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| InChIKey |
ZSJICZMNRMEJDA-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