General Information of the Compound
| Compound ID |
CP0429666
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| Compound Name |
N-[(1R,2S)-1-[1-(1-ethyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2,2-difluoropropanamide
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| Structure |
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| Formula |
C26H26F2N4O3
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| Molecular Weight |
480.515
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| Canonical SMILES |
CCn1cc(ccc1=O)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccccc3)ccc12
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| InChI |
InChI=1S/C26H26F2N4O3/c1-4-31-16-20(10-13-23(31)33)32-22-12-11-21(14-19(22)15-29-32)35-24(18-8-6-5-7-9-18)17(2)30-25(34)26(3,27)28/h5-17,24H,4H2,1-3H3,(H,30,34)/t17-,24-/m0/s1
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| InChIKey |
GFAQUXPHHREEAJ-XDHUDOTRSA-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