General Information of the Compound
| Compound ID |
CP0097585
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C21H22ClFN6O3
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| Molecular Weight |
460.897
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| Canonical SMILES |
Cc1noc(C)c1Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H22ClFN6O3/c1-11-19(12(2)32-28-11)27-20-24-8-14-5-6-29(9-17(14)25-20)21(31)26-18(10-30)13-3-4-16(23)15(22)7-13/h3-4,7-8,18,30H,5-6,9-10H2,1-2H3,(H,26,31)(H,24,25,27)/t18-/m1/s1
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| InChIKey |
UWAKJZZVCFOXJQ-GOSISDBHSA-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