General Information of the Compound
| Compound ID |
CP0963563
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| Compound Name |
2-(5-methyl-4-(2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane-8-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 |
C22H26F3N7O2
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| Molecular Weight |
477.491
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCN(CCC(F)(F)F)C3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H26F3N7O2/c1-15-16(13-26-32(15)20-27-18(33)17-3-2-8-31(17)28-20)19(34)30-11-5-21(6-12-30)4-9-29(14-21)10-7-22(23,24)25/h2-3,8,13H,4-7,9-12,14H2,1H3,(H,27,28,33)
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| InChIKey |
UVVOARPQRFAGKJ-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