General Information of the Compound
| Compound ID |
CP0514934
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| Compound Name |
2,2-difluoro-N-[(1R,2S)-3-methyl-1-phenyl-1-[1-(1,2-thiazol-5-yl)indazol-5-yl]oxybutan-2-yl]propanamide
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| Structure |
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| Formula |
C24H24F2N4O2S
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| Molecular Weight |
470.545
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| Canonical SMILES |
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccns1)c1ccccc1
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| InChI |
InChI=1S/C24H24F2N4O2S/c1-15(2)21(29-23(31)24(3,25)26)22(16-7-5-4-6-8-16)32-18-9-10-19-17(13-18)14-27-30(19)20-11-12-28-33-20/h4-15,21-22H,1-3H3,(H,29,31)/t21-,22+/m0/s1
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| InChIKey |
VHYCBNOAXLTLOI-FCHUYYIVSA-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