General Information of the Compound
| Compound ID |
CP0396955
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| Compound Name |
2-(tert-butylamino)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-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)(C)Nc1ncc2CCN(Cc2n1)C(=O)N[C@H](CO)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H25ClFN5O2/c1-20(2,3)26-18-23-9-13-6-7-27(10-16(13)24-18)19(29)25-17(11-28)12-4-5-15(22)14(21)8-12/h4-5,8-9,17,28H,6-7,10-11H2,1-3H3,(H,25,29)(H,23,24,26)/t17-/m1/s1
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| InChIKey |
STFFCSOBZWGSOQ-QGZVFWFLSA-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