General Information of the Compound
| Compound ID |
CP0429665
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| Compound Name |
2,2-difluoro-N-[(1S,2R)-2-[1-(4-fluorophenyl)indazol-5-yl]oxy-2-(6-methoxypyridin-3-yl)-1-[(2-methylpropan-2-yl)oxy]ethyl]propanamide
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| Structure |
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| Formula |
C28H29F3N4O4
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| Molecular Weight |
542.558
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| Canonical SMILES |
COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)OC(C)(C)C
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| InChI |
InChI=1S/C28H29F3N4O4/c1-27(2,3)39-25(34-26(36)28(4,30)31)24(17-6-13-23(37-5)32-15-17)38-21-11-12-22-18(14-21)16-33-35(22)20-9-7-19(29)8-10-20/h6-16,24-25H,1-5H3,(H,34,36)/t24-,25+/m1/s1
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| InChIKey |
YKDVPZHHZGFRMK-RPBOFIJWSA-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