General Information of the Compound
| Compound ID |
CP0396956
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(4-fluoroanilino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C22H20ClF2N5O2
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| Molecular Weight |
459.884
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| Canonical SMILES |
OC[C@@H](NC(=O)N1CCc2cnc(Nc3ccc(F)cc3)nc2C1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C22H20ClF2N5O2/c23-17-9-13(1-6-18(17)25)20(12-31)29-22(32)30-8-7-14-10-26-21(28-19(14)11-30)27-16-4-2-15(24)3-5-16/h1-6,9-10,20,31H,7-8,11-12H2,(H,29,32)(H,26,27,28)/t20-/m1/s1
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| InChIKey |
GZSVVWUDPZNIFB-HXUWFJFHSA-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