General Information of the Compound
| Compound ID |
CP0482204
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| Compound Name |
N-[2-[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C28H32F3N7O4S
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| Molecular Weight |
619.67
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(c(n1)N1Cc2cccc(N(C)S(C)(=O)=O)c2C1)C(F)(F)F)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C28H32F3N7O4S/c1-18(39)36-10-12-37(13-11-36)20-8-9-23(25(14-20)42-3)33-27-32-15-22(28(29,30)31)26(34-27)38-16-19-6-5-7-24(21(19)17-38)35(2)43(4,40)41/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,32,33,34)
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| InChIKey |
JWDRCYFLQYYAEH-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