General Information of the Compound
| Compound ID |
CP0557710
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| Compound Name |
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C21H25ClFN5O2
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| Molecular Weight |
433.915
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| Canonical SMILES |
C[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C21H25ClFN5O2/c1-13(14-2-3-17(22)18(23)10-14)25-21(29)28-7-4-15-11-24-20(27-19(15)12-28)26-16-5-8-30-9-6-16/h2-3,10-11,13,16H,4-9,12H2,1H3,(H,25,29)(H,24,26,27)/t13-/m1/s1
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| InChIKey |
XHQBOSUFOHFXGZ-CYBMUJFWSA-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