General Information of the Compound
| Compound ID |
CP0967573
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| Compound Name |
2-(5-methyl-4-(1-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane-6-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C26H24N8O3
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| Molecular Weight |
496.531
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)CC3c2nnc(-c3ccccc3)o2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C26H24N8O3/c1-16-18(15-27-34(16)25-28-21(35)20-8-5-11-33(20)31-25)24(36)32-12-9-26(10-13-32)14-19(26)23-30-29-22(37-23)17-6-3-2-4-7-17/h2-8,11,15,19H,9-10,12-14H2,1H3,(H,28,31,35)
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| InChIKey |
JIVYXXPAOLWMFX-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