General Information of the Compound
| Compound ID |
CP0903392
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| Compound Name |
6-(5-chlorobenzofuran-2-carbonyl)-3-methoxy-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H22ClF3N4O4
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| Molecular Weight |
546.933
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cc(Cl)ccc3o1)CC2
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| InChI |
InChI=1S/C26H22ClF3N4O4/c1-14(15-3-5-17(6-4-15)26(28,29)30)31-25-32-20-9-10-33(13-19(20)23(35)34(25)37-2)24(36)22-12-16-11-18(27)7-8-21(16)38-22/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,31,32)/t14-/m0/s1
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| InChIKey |
XFPKKWOGUVXBDL-AWEZNQCLSA-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