General Information of the Compound
| Compound ID |
CP0478000
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-1-[1-[1-(1-hydroxyethyl)-6-oxopyridin-3-yl]indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
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| Structure |
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| Formula |
C26H26F2N4O4
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| Molecular Weight |
496.514
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| Canonical SMILES |
CC(O)n1cc(ccc1=O)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccccc3)ccc12
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| InChI |
InChI=1S/C26H26F2N4O4/c1-16(30-25(35)26(3,27)28)24(18-7-5-4-6-8-18)36-21-10-11-22-19(13-21)14-29-32(22)20-9-12-23(34)31(15-20)17(2)33/h4-17,24,33H,1-3H3,(H,30,35)/t16-,17?,24-/m0/s1
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| InChIKey |
MSRNIYKKQAFYGG-DZNFTPFFSA-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