General Information of the Compound
| Compound ID |
CP0483749
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| Compound Name |
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-[(1-methylpyrazol-4-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C20H21ClFN7O2
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| Molecular Weight |
445.886
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| Canonical SMILES |
Cn1cc(Nc2ncc3CCN(Cc3n2)C(=O)N[C@H](CO)c2ccc(F)c(Cl)c2)cn1
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| InChI |
InChI=1S/C20H21ClFN7O2/c1-28-9-14(8-24-28)25-19-23-7-13-4-5-29(10-17(13)26-19)20(31)27-18(11-30)12-2-3-16(22)15(21)6-12/h2-3,6-9,18,30H,4-5,10-11H2,1H3,(H,27,31)(H,23,25,26)/t18-/m1/s1
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| InChIKey |
CRRMNNYNVRDTMD-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