General Information of the Compound
| Compound ID |
CP0360937
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| Compound Name |
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-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 |
C22H22Cl2N6O
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| Molecular Weight |
457.365
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| Canonical SMILES |
C[C@@H](NC(=O)N1CCc2cnc(Nc3ccnc(C)c3)nc2C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H22Cl2N6O/c1-13-9-17(5-7-25-13)28-21-26-11-16-6-8-30(12-20(16)29-21)22(31)27-14(2)15-3-4-18(23)19(24)10-15/h3-5,7,9-11,14H,6,8,12H2,1-2H3,(H,27,31)(H,25,26,28,29)/t14-/m1/s1
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| InChIKey |
ZGOWDCNCCJWTOO-CQSZACIVSA-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