General Information of the Compound
| Compound ID |
CP0400274
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(methylamino)ethyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C20H26ClFN6O
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| Molecular Weight |
420.92
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| Canonical SMILES |
CNC[C@@H](NC(=O)N1CCc2cnc(NC(C)C)nc2C1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H26ClFN6O/c1-12(2)25-19-24-9-14-6-7-28(11-18(14)26-19)20(29)27-17(10-23-3)13-4-5-16(22)15(21)8-13/h4-5,8-9,12,17,23H,6-7,10-11H2,1-3H3,(H,27,29)(H,24,25,26)/t17-/m1/s1
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| InChIKey |
CQQANIKFEZFTAB-QGZVFWFLSA-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