General Information of the Compound
| Compound ID |
CP0772158
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| Compound Name |
(R)-N-(1-(3,4-dichlorophenyl)ethyl)-2-(1-methyl-1H-pyrazol-5-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide
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| Structure |
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| Formula |
C20H21Cl2N7O
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| Molecular Weight |
446.342
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| Canonical SMILES |
C[C@@H](NC(=O)N1CCc2cnc(Nc3ccnn3C)nc2C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H21Cl2N7O/c1-12(13-3-4-15(21)16(22)9-13)25-20(30)29-8-6-14-10-23-19(26-17(14)11-29)27-18-5-7-24-28(18)2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,30)(H,23,26,27)/t12-/m1/s1
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| InChIKey |
UFPJNNFZCVYLKA-GFCCVEGCSA-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