General Information of the Compound
| Compound ID |
CP0946610
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| Compound Name |
3-methoxy-6-(thieno[2,3-b]pyridine-2-carbonyl)-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 |
C25H22F3N5O3S
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| Molecular Weight |
529.544
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2
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| InChI |
InChI=1S/C25H22F3N5O3S/c1-14(15-5-7-17(8-6-15)25(26,27)28)30-24-31-19-9-11-32(13-18(19)22(34)33(24)36-2)23(35)20-12-16-4-3-10-29-21(16)37-20/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,30,31)/t14-/m0/s1
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| InChIKey |
LVWFGIIPYWSKIX-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