General Information of the Compound
| Compound ID |
CP0574922
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| Compound Name |
2-[4-(difluoromethyl)-7-methyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C32H31F2N7O2S
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| Molecular Weight |
615.71
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| Canonical SMILES |
Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C32H31F2N7O2S/c1-19-22(20-2-4-21(5-3-20)39-11-13-43-14-12-39)16-23(29(33)34)24-17-41(38-26(19)24)28(30(42)37-31-35-10-15-44-31)27-25-6-7-32(8-9-32)40(25)18-36-27/h2-5,10,15-18,28-29H,6-9,11-14H2,1H3,(H,35,37,42)
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| InChIKey |
UZSXMSPYXHBGKW-UHFFFAOYSA-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