General Information of the Compound
| Compound ID |
CP0529760
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| Compound Name |
N-[2-[6-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
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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 |
COc1ccc(cc1)-c1nc2ccc(NCc3ccc(F)c(c3)C(F)(F)F)nc2n(CCNC(C)=O)c1=O
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| InChI |
InChI=1S/C26H23F4N5O3/c1-15(36)31-11-12-35-24-21(33-23(25(35)37)17-4-6-18(38-2)7-5-17)9-10-22(34-24)32-14-16-3-8-20(27)19(13-16)26(28,29)30/h3-10,13H,11-12,14H2,1-2H3,(H,31,36)(H,32,34)
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| InChIKey |
ZQDSQIDDAXWHQJ-UHFFFAOYSA-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