General Information of the Compound
| Compound ID |
CP0383860
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-2-oxopyrimidin-5-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide
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| Structure |
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| Formula |
C26H27F2N5O3
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| Molecular Weight |
495.53
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cnc(=O)n(C)c1)c1ccccc1
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| InChI |
InChI=1S/C26H27F2N5O3/c1-16(2)22(31-24(34)26(3,27)28)23(17-8-6-5-7-9-17)36-20-10-11-21-18(12-20)13-30-33(21)19-14-29-25(35)32(4)15-19/h5-16,22-23H,1-4H3,(H,31,34)/t22-,23+/m0/s1
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| InChIKey |
TYCUICMMZFMOBM-XZOQPEGZSA-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