General Information of the Compound
| Compound ID |
CP0476110
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
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| Structure |
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| Formula |
C25H24F2N4O3
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| Molecular Weight |
466.488
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| Canonical SMILES |
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1ccccc1
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| InChI |
InChI=1S/C25H24F2N4O3/c1-16(29-24(33)25(2,26)27)23(17-7-5-4-6-8-17)34-20-10-11-21-18(13-20)14-28-31(21)19-9-12-22(32)30(3)15-19/h4-16,23H,1-3H3,(H,29,33)/t16-,23-/m0/s1
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| InChIKey |
NYICKBDGGNYVTC-HJPURHCSSA-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