General Information of the Compound
| Compound ID |
CP0383864
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)-3-methylbutan-2-yl]propanamide
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| Structure |
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| Formula |
C27H27F3N4O3
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| Molecular Weight |
512.532
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| Canonical SMILES |
COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)C(C)C
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| InChI |
InChI=1S/C27H27F3N4O3/c1-16(2)24(33-26(35)27(3,29)30)25(17-5-12-23(36-4)31-14-17)37-21-10-11-22-18(13-21)15-32-34(22)20-8-6-19(28)7-9-20/h5-16,24-25H,1-4H3,(H,33,35)/t24-,25+/m0/s1
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| InChIKey |
GDLMXSZEDBKHNY-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