General Information of the Compound
| Compound ID |
CP0434285
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| Compound Name |
2-(ethylamino)-6-[3-[4-(trifluoromethylsulfanyl)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H22F3N5O2S
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| Molecular Weight |
453.49
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| Canonical SMILES |
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(SC(F)(F)F)cc1
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| InChI |
InChI=1S/C20H22F3N5O2S/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
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| InChIKey |
RCQZPPJSFWRFOE-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