General Information of the Compound
| Compound ID |
CP0577166
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| Compound Name |
6-[(2S)-2-fluoropropyl]-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]-4-[(1-methylcyclopropyl)amino]pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C24H31FN8O
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| Molecular Weight |
466.565
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| Canonical SMILES |
C[C@H](F)Cn1ccc2nc(Nc3cnn(c3)C3CC4(C3)CN(C)C4)nc(NC3(C)CC3)c2c1=O
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| InChI |
InChI=1S/C24H31FN8O/c1-15(25)11-32-7-4-18-19(21(32)34)20(30-23(2)5-6-23)29-22(28-18)27-16-10-26-33(12-16)17-8-24(9-17)13-31(3)14-24/h4,7,10,12,15,17H,5-6,8-9,11,13-14H2,1-3H3,(H2,27,28,29,30)/t15-/m0/s1
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| InChIKey |
SZCLPNYLGLGFBB-HNNXBMFYSA-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