General Information of the Compound
| Compound ID |
CP0428728
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| Compound Name |
2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C21H21F3N4O3
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| Molecular Weight |
434.418
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| Canonical SMILES |
NC(=O)c1nc(nc2CCN(Cc12)C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CC1
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| InChI |
InChI=1S/C21H21F3N4O3/c22-21(23,24)31-14-6-1-12(2-7-14)3-8-17(29)28-10-9-16-15(11-28)18(19(25)30)27-20(26-16)13-4-5-13/h1-2,6-7,13H,3-5,8-11H2,(H2,25,30)
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| InChIKey |
MKQSXFDTQJFJRI-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