General Information of the Compound
| Compound ID |
CP0063057
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| Compound Name |
N-[(1R,2S)-1-[1-(5-cyano-1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]-2,2-difluoropropanamide
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| Structure |
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| Formula |
C28H27F2N5O3
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| Molecular Weight |
519.552
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(C#N)c(=O)n(C)c1)c1ccccc1
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| InChI |
InChI=1S/C28H27F2N5O3/c1-17(2)24(33-27(37)28(3,29)30)25(18-8-6-5-7-9-18)38-22-10-11-23-20(13-22)15-32-35(23)21-12-19(14-31)26(36)34(4)16-21/h5-13,15-17,24-25H,1-4H3,(H,33,37)/t24-,25+/m0/s1
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| InChIKey |
BRWSNNZKIVUTKT-LOSJGSFVSA-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