General Information of the Compound
| Compound ID |
CP0968300
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| Compound Name |
3-methoxy-6-(1-methyl-5-thiophen-2-yl-1H-pyrazole-3-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 |
C26H25F3N6O3S
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| Molecular Weight |
558.586
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc(-c3cccs3)n(C)n1)CC2
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| InChI |
InChI=1S/C26H25F3N6O3S/c1-15(16-6-8-17(9-7-16)26(27,28)29)30-25-31-19-10-11-34(14-18(19)23(36)35(25)38-3)24(37)20-13-21(33(2)32-20)22-5-4-12-39-22/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,30,31)/t15-/m0/s1
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| InChIKey |
FUIRXOGPVHEATL-HNNXBMFYSA-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