General Information of the Compound
| Compound ID |
CP0428730
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| Compound Name |
6-[3-[4-(1,1-difluoroethyl)phenyl]propanoyl]-2-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C21H25F2N5O2
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| Molecular Weight |
417.46
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| Canonical SMILES |
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F
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| InChI |
InChI=1S/C21H25F2N5O2/c1-3-25-20-26-16-10-11-28(12-15(16)18(27-20)19(24)30)17(29)9-6-13-4-7-14(8-5-13)21(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,24,30)(H,25,26,27)
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| InChIKey |
MXGSPDOBOMJLPQ-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