General Information of the Compound
| Compound ID |
CP0946654
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| Compound Name |
2-(5-methyl-4-(1-(5-(pyridin-3-yl)-1,2,4-oxadiazol-3-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 |
C25H23N9O3
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| Molecular Weight |
497.519
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)CC3c2noc(-c3cccnc3)n2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H23N9O3/c1-15-17(14-27-34(15)24-29-21(35)19-5-3-9-33(19)30-24)23(36)32-10-6-25(7-11-32)12-18(25)20-28-22(37-31-20)16-4-2-8-26-13-16/h2-5,8-9,13-14,18H,6-7,10-12H2,1H3,(H,29,30,35)
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| InChIKey |
DOBHNPFXSSHWAK-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