General Information of the Compound
| Compound ID |
CP0578381
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| Compound Name |
6-[(2S)-2-fluoropropyl]-2-[[1-[(1R,4R,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-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)[C@H]3C[C@H]4C[C@@H]3CN4C)nc(NC3(C)CC3)c2c1=O
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| InChI |
InChI=1S/C24H31FN8O/c1-14(25)11-32-7-4-18-20(22(32)34)21(30-24(2)5-6-24)29-23(28-18)27-16-10-26-33(13-16)19-9-17-8-15(19)12-31(17)3/h4,7,10,13-15,17,19H,5-6,8-9,11-12H2,1-3H3,(H2,27,28,29,30)/t14-,15+,17+,19-/m0/s1
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| InChIKey |
RQNDQPPUVJDHID-MGTHKWJCSA-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