General Information of the Compound
| Compound ID |
CP0911812
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| Compound Name |
3-fluoro-4-{3-methoxy-4-oxo-2-[(S)-1-(4-trifluoromethylphenyl)propylamino]-3,5,7,8-tetrahydro-4H-pyrido[4,3-d]pyrimidine-6-carbonyl}benzonitrile
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| Structure |
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| Formula |
C26H23F4N5O3
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| Molecular Weight |
529.494
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| Canonical SMILES |
CC[C@H](Nc1nc2c(c(=O)n1OC)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H23F4N5O3/c1-3-21(16-5-7-17(8-6-16)26(28,29)30)32-25-33-22-10-11-34(14-19(22)24(37)35(25)38-2)23(36)18-9-4-15(13-31)12-20(18)27/h4-9,12,21H,3,10-11,14H2,1-2H3,(H,32,33)/t21-/m0/s1
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| InChIKey |
IDTGMFSYCLPJPT-NRFANRHFSA-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