General Information of the Compound
| Compound ID |
CP0550843
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-[(2-methylpyridin-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C22H22ClFN6O2
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| Molecular Weight |
456.909
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| Canonical SMILES |
Cc1cc(Nc2ncc3CCN(Cc3n2)C(=O)N[C@H](CO)c2ccc(F)c(Cl)c2)ccn1
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| InChI |
InChI=1S/C22H22ClFN6O2/c1-13-8-16(4-6-25-13)27-21-26-10-15-5-7-30(11-19(15)28-21)22(32)29-20(12-31)14-2-3-18(24)17(23)9-14/h2-4,6,8-10,20,31H,5,7,11-12H2,1H3,(H,29,32)(H,25,26,27,28)/t20-/m1/s1
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| InChIKey |
YDGXBGVSINILPS-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