General Information of the Compound
Compound ID |
CP0957781
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Compound Name |
(S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-2-(isobutylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide
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Structure |
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Formula |
C20H25ClFN5O2
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Molecular Weight |
421.904
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Canonical SMILES |
CC(C)CNc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1)CC2
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InChI |
InChI=1S/C20H25ClFN5O2/c1-12(2)8-23-19-24-9-14-5-6-27(10-17(14)25-19)20(29)26-18(11-28)13-3-4-16(22)15(21)7-13/h3-4,7,9,12,18,28H,5-6,8,10-11H2,1-2H3,(H,26,29)(H,23,24,25)/t18-/m1/s1
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InChIKey |
HEEXTLYQAMGEAZ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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