General Information of the Compound
| Compound ID |
CP0429667
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-1-[1-(6-oxo-1-propylpyridin-3-yl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
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| Structure |
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| Formula |
C27H28F2N4O3
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| Molecular Weight |
494.542
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| Canonical SMILES |
CCCn1cc(ccc1=O)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccccc3)ccc12
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| InChI |
InChI=1S/C27H28F2N4O3/c1-4-14-32-17-21(10-13-24(32)34)33-23-12-11-22(15-20(23)16-30-33)36-25(19-8-6-5-7-9-19)18(2)31-26(35)27(3,28)29/h5-13,15-18,25H,4,14H2,1-3H3,(H,31,35)/t18-,25-/m0/s1
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| InChIKey |
UXDVXFZEKZMSQX-BVZFJXPGSA-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